methyl 4-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NCCCC(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NCCCC(=O)OC)OC)OC

InChI

InChI=1S/C20H31N3O4S/c1-15-12-17(25-2)18(26-3)13-16(15)14-22-8-10-23(11-9-22)20(28)21-7-5-6-19(24)27-4/h12-13H,5-11,14H2,1-4H3,(H,21,28)