N-butyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C17H27N3S MolecularWeight: 305.48138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C17H27N3S/c1-4-5-9-18-17(21)20-12-10-19(11-13-20)16-8-6-7-14(2)15(16)3/h6-8H,4-5,9-13H2,1-3H3,(H,18,21)