5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-[2-keto-2-(4-phenylpiperazino)ethyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N4O3S/c35-28(32-18-16-31(17-19-32)23-8-2-1-3-9-23)21-34-25-20-22(29(36)33-14-6-7-15-33)12-13-27(25)38-26-11-5-4-10-24(26)30(34)37/h1-5,8-13,20H,6-7,14-19,21H2