11-oxidanylidene-5-(phenylmethyl)-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 11-oxidanylidene-5-(phenylmethyl)-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-benzyl-3-(4-benzylpiperidine-1-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 11-oxo-3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-5-(phenylmethyl)-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-benzyl-3-(4-benzylpiperidine-1-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-benzyl-3-(4-benzylpiperidine-1-carbonyl)-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C33H30N2O3S MolecularWeight: 534.6679

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)S(=O)C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)S(=O)C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6

InChI

InChI=1S/C33H30N2O3S/c36-32(34-19-17-25(18-20-34)21-24-9-3-1-4-10-24)27-15-16-31-29(22-27)35(23-26-11-5-2-6-12-26)33(37)28-13-7-8-14-30(28)39(31)38/h1-16,22,25H,17-21,23H2