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5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name:5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
Openeye Name:N-benzyl-5-[(3-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide
CAS Name:5-[(3-methoxyphenyl)methyl]-6-oxo-N-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide
IUPAC Name:N-benzyl-5-[(3-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
Traditional Name:N-benzyl-6-keto-5-m-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide
Formula: C29H24N2O3S
MolecularWeight: 480.57746
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)SC5=CC=CC=C5C2=O


Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)SC5=CC=CC=C5C2=O


InChI

InChI=1S/C29H24N2O3S/c1-34-23-11-7-10-21(16-23)19-31-25-17-22(28(32)30-18-20-8-3-2-4-9-20)14-15-27(25)35-26-13-6-5-12-24(26)29(31)33/h2-17H,18-19H2,1H3,(H,30,32)


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