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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate CAS Name: 4-[2-(methylthio)phenyl]-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate Traditional Name: 4-[2-(methylthio)phenyl]piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O2S2/c1-15-13-17(19(26-3)14-16(15)2)22-28-21(25)24-11-9-23(10-12-24)18-7-5-6-8-20(18)27-4/h5-8,13-14,22H,9-12H2,1-4H3