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

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(phenylmethylsulfanyl)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(benzylsulfanylmethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(phenylmethylthio)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-(benzylsulfanylmethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(benzylthio)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H29NO2S MolecularWeight: 491.64316

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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)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CSCC5=CC=CC=C5

InChI

InChI=1S/C32H29NO2S/c1-23-7-11-26(12-8-23)27-13-16-31-29(19-27)20-28(17-18-35-31)32(34)33-30-14-9-25(10-15-30)22-36-21-24-5-3-2-4-6-24/h2-16,19-20H,17-18,21-22H2,1H3,(H,33,34)