7-(4-methylphenyl)-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 7-(4-methylphenyl)-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(phenylsulfanylmethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(phenylthio)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C31H27NO2S MolecularWeight: 477.61658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C31H27NO2S/c1-22-7-11-24(12-8-22)25-13-16-30-27(19-25)20-26(17-18-34-30)31(33)32-28-14-9-23(10-15-28)21-35-29-5-3-2-4-6-29/h2-16,19-20H,17-18,21H2,1H3,(H,32,33)