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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-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=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(C=C(C(=C3)C)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-15-10-16(2)12-19(11-15)24-6-8-25(9-7-24)22(26)28-23-20-13-17(3)18(4)14-21(20)27-5/h10-14,23H,6-9H2,1-5H3