7-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5

InChI

InChI=1S/C22H21N3O2S2/c26-20-9-12-28-18-6-5-15(13-17(18)23-20)22(27)25-10-7-14(8-11-25)21-24-16-3-1-2-4-19(16)29-21/h1-6,13-14H,7-12H2,(H,23,26)