S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazine-2-carbothioate

Systemtic Name: S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazine-2-carbothioate Openeye Name: S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazine-2-carbothioate CAS Name: 4-(3-bromophenyl)-1-[(2-methoxy-4,5-dimethyl-1-cyclohexa-2,4-dienyl)amino]-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-4,5-dimethylcyclohexa-2,4-dien-1-yl)amino]piperazine-2-carbothioate Traditional Name: 4-(3-bromophenyl)-1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazine-2-carbothioic acid S-methyl ester Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(C1)NN2CCN(CC2C(=O)SC)C3=CC(=CC=C3)Br)OC)C

Isomeric SMILES

CC1=C(C=C(C(C1)NN2CCN(CC2C(=O)SC)C3=CC(=CC=C3)Br)OC)C

InChI

InChI=1S/C21H28BrN3O2S/c1-14-10-18(20(27-3)11-15(14)2)23-25-9-8-24(13-19(25)21(26)28-4)17-7-5-6-16(22)12-17/h5-7,11-12,18-19,23H,8-10,13H2,1-4H3