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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioate CAS Name: 4-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(2-methoxy-5-methylphenyl)piperazine-1-carbothioate Traditional Name: 4-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-15-6-7-20(27-4)19(12-15)24-8-10-25(11-9-24)22(26)29-23-18-13-16(2)17(3)14-21(18)28-5/h6-7,12-14,23H,8-11H2,1-5H3