(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone

Systemtic Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone Openeye Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone CAS Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]methanone IUPAC Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone Traditional Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]methanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)OC4=CC=C(C=C4)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)OC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3