3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentanethioamide

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentanethioamide Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentanethioamide CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazinyl]pentanethioamide IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentanethioamide Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]thiovaleramide Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCC(CC(=S)N)N1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C17H27N3S/c1-4-15(12-17(18)21)19-8-10-20(11-9-19)16-7-5-6-13(2)14(16)3/h5-7,15H,4,8-12H2,1-3H3,(H2,18,21)