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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanethioamide Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanethioamide CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]butanethioamide IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanethioamide Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]thiobutyramide Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCC(=S)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCC(=S)N)C

InChI

InChI=1S/C16H25N3S/c1-13-5-3-6-15(14(13)2)19-11-9-18(10-12-19)8-4-7-16(17)20/h3,5-6H,4,7-12H2,1-2H3,(H2,17,20)