N-(4-butylphenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-3-keto-piperazine-1-carbothioamide Formula: C15H21N3OS MolecularWeight: 291.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2

InChI

InChI=1S/C15H21N3OS/c1-2-3-4-12-5-7-13(8-6-12)17-15(20)18-10-9-16-14(19)11-18/h5-8H,2-4,9-11H2,1H3,(H,16,19)(H,17,20)