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

Systemtic Name: N-(furan-2-ylmethyl)-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-furylmethyl)-6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-furanylmethyl)-5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-furfuryl)-6-keto-5-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H22N2O3S/c1-18-8-10-19(11-9-18)17-29-23-15-20(26(30)28-16-21-5-4-14-32-21)12-13-25(23)33-24-7-3-2-6-22(24)27(29)31/h2-15H,16-17H2,1H3,(H,28,30)