N-(4-butylphenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-formyl-piperazine-1-carbothioamide Formula: C16H23N3OS MolecularWeight: 305.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C=O

InChI

InChI=1S/C16H23N3OS/c1-2-3-4-14-5-7-15(8-6-14)17-16(21)19-11-9-18(13-20)10-12-19/h5-8,13H,2-4,9-12H2,1H3,(H,17,21)