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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H29N3O4S/c1-15-10-20(21(29-5)11-16(15)2)23-30-22(26)25-8-6-24(7-9-25)17-12-18(27-3)14-19(13-17)28-4/h10-14,23H,6-9H2,1-5H3