9-methoxy-7-(4-methylsulfanylphenyl)-4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-7-(4-methylsulfanylphenyl)-4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-isopropyl-9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-[4-(methylthio)phenyl]-4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(4-methylsulfanylphenyl)-4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-isopropyl-9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)N1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H25NO2S/c1-14(2)21-9-10-23-20-17(13-21)11-16(12-19(20)22-3)15-5-7-18(24-4)8-6-15/h5-8,11-12,14H,9-10,13H2,1-4H3