(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]methanone

Systemtic Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]methanone Openeye Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]methanone CAS Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]phenyl]methanone IUPAC Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanylphenoxy)phenyl]methanone Traditional Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]phenyl]methanone Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)CNC)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)CNC)SC

InChI

InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3