9-chloranyl-7,8-dimethoxy-5-(4-propan-2-ylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: 9-chloranyl-7,8-dimethoxy-5-(4-propan-2-ylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 9-chloro-5-(4-isopropylsulfanylphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 9-chloro-7,8-dimethoxy-5-[4-(propan-2-ylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 9-chloro-7,8-dimethoxy-5-(4-propan-2-ylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 9-chloro-5-[4-(isopropylthio)phenyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)Cl

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)Cl

InChI

InChI=1S/C21H26ClNO2S/c1-13(2)26-15-7-5-14(6-8-15)18-12-23-10-9-16-17(18)11-19(24-3)21(25-4)20(16)22/h5-8,11,13,18,23H,9-10,12H2,1-4H3