7-[[ethanoyl-(4-methylphenyl)amino]methyl]-N-(3-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

Systemtic Name: 7-[[ethanoyl-(4-methylphenyl)amino]methyl]-N-(3-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide Openeye Name: 7-[(N-acetyl-4-methyl-anilino)methyl]-N-(3-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide CAS Name: 7-[(N-acetyl-4-methylanilino)methyl]-N-[3-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide IUPAC Name: 7-[(N-acetyl-4-methylanilino)methyl]-N-(3-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide Traditional Name: 7-[(N-acetyl-4-methyl-anilino)methyl]-N-[3-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)NC4=CC(=CC=C4)SC)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)NC4=CC(=CC=C4)SC)C(=O)C

InChI

InChI=1S/C27H29N3O3S/c1-19-7-10-24(11-8-19)30(20(2)31)17-21-9-12-26-22(15-21)18-29(13-14-33-26)27(32)28-23-5-4-6-25(16-23)34-3/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,28,32)