(3S)-3-(2-aminophenyl)sulfanyl-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-1-one

Systemtic Name: (3S)-3-(2-aminophenyl)sulfanyl-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: (3S)-3-(2-aminophenyl)sulfanyl-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: (3S)-3-[(2-aminophenyl)thio]-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: (3S)-3-(2-aminophenyl)sulfanyl-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: (3S)-3-[(2-aminophenyl)thio]-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C23H22BrNO3S MolecularWeight: 472.39468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)SC3=CC=CC=C3N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)Br)SC3=CC=CC=C3N)OC

InChI

InChI=1S/C23H22BrNO3S/c1-27-20-12-9-16(13-21(20)28-2)23(29-22-6-4-3-5-18(22)25)14-19(26)15-7-10-17(24)11-8-15/h3-13,23H,14,25H2,1-2H3/t23-/m0/s1