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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2-chlorophenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(2-chlorophenyl)piperazine-1-carbothioate CAS Name: 4-(2-chlorophenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(2-chlorophenyl)piperazine-1-carbothioate Traditional Name: 4-(2-chlorophenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-14-12-17(19(26-3)13-15(14)2)22-27-20(25)24-10-8-23(9-11-24)18-7-5-4-6-16(18)21/h4-7,12-13,22H,8-11H2,1-3H3