9-methoxy-7-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(4-methoxyphenyl)-4-[[4-(methylthio)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(4-methoxyphenyl)-4-[4-(methylthio)benzyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H27NO3S/c1-27-22-8-6-19(7-9-22)20-14-21-17-26(12-13-29-25(21)24(15-20)28-2)16-18-4-10-23(30-3)11-5-18/h4-11,14-15H,12-13,16-17H2,1-3H3