N-(2-diethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-diethylaminoethyl)-6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-diethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-diethylaminoethyl)-6-keto-5-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

InChI

InChI=1S/C28H31N3O2S/c1-4-30(5-2)17-16-29-27(32)22-14-15-26-24(18-22)31(19-21-12-10-20(3)11-13-21)28(33)23-8-6-7-9-25(23)34-26/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,29,32)