S-methyl 3-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[(2-methoxy-4,5-dimethyl-1-cyclohexa-2,4-dienyl)amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[(2-methoxy-4,5-dimethylcyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(C1)NN2CCN(CC2)C3=CC(=CC(=C3)C)C(=O)SC)OC)C

Isomeric SMILES

CC1=C(C=C(C(C1)NN2CCN(CC2)C3=CC(=CC(=C3)C)C(=O)SC)OC)C

InChI

InChI=1S/C22H31N3O2S/c1-15-10-18(22(26)28-5)14-19(11-15)24-6-8-25(9-7-24)23-20-12-16(2)17(3)13-21(20)27-4/h10-11,13-14,20,23H,6-9,12H2,1-5H3