N-(2-methoxy-4,5-dimethyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4,5-dimethyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4,5-dimethyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4,5-dimethylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4,5-dimethylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4,5-dimethyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3OS2/c1-15-13-17(19(25-3)14-16(15)2)22-21(26)24-11-9-23(10-12-24)18-7-5-6-8-20(18)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)