8-methoxy-5-(4-methoxyphenyl)-7-(phenylmethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: 8-methoxy-5-(4-methoxyphenyl)-7-(phenylmethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7-benzylsulfanyl-8-methoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 8-methoxy-5-(4-methoxyphenyl)-7-(phenylmethylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 7-benzylsulfanyl-8-methoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7-(benzylthio)-8-methoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CNCCC3=CC(=C(C=C23)SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CNCCC3=CC(=C(C=C23)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H27NO2S/c1-27-21-10-8-19(9-11-21)23-16-26-13-12-20-14-24(28-2)25(15-22(20)23)29-17-18-6-4-3-5-7-18/h3-11,14-15,23,26H,12-13,16-17H2,1-2H3