2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; (3Z)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile

Systemtic Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; (3Z)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile Openeye Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; (3Z)-3-[5-(morpholinomethyl)-1H-pyridin-2-ylidene]-2-oxo-indoline-5-carbonitrile CAS Name: 2-[2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]ethoxy]ethanol; (3Z)-3-[5-(4-morpholinylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; (3Z)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile Traditional Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)ethoxy]ethanol; (3Z)-2-keto-3-[5-(morpholinomethyl)-1H-pyridin-2-ylidene]indoline-5-carbonitrile Formula: C40H43N7O4S MolecularWeight: 717.87892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1COCCN1CC2=CNC(=C3C4=C(C=CC(=C4)C#N)NC3=O)C=C2

Isomeric SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1COCCN1CC2=CN/C(=C\3/C4=C(C=CC(=C4)C#N)NC3=O)/C=C2

InChI

InChI=1S/C21H25N3O2S.C19H18N4O2/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-8,25H,9-16H2;1-4,9,11,21H,5-8,12H2,(H,22,24)/b;18-17-