S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2,3-dimethylphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2,3-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(2,3-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(2,3-dimethylphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(2,3-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(2,3-dimethylphenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)SNC3=C(C=C(C(=C3)C)C)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)SNC3=C(C=C(C(=C3)C)C)OC)C

InChI

InChI=1S/C22H29N3O2S/c1-15-7-6-8-20(18(15)4)24-9-11-25(12-10-24)22(26)28-23-19-13-16(2)17(3)14-21(19)27-5/h6-8,13-14,23H,9-12H2,1-5H3