N-(3-carbamothioylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: N-(3-carbamothioylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: N-(3-carbamothioylphenyl)-3-(3-oxopiperazin-1-yl)propanamide CAS Name: N-(3-carbamothioylphenyl)-3-(3-oxo-1-piperazinyl)propanamide IUPAC Name: N-(3-carbamothioylphenyl)-3-(3-oxopiperazin-1-yl)propanamide Traditional Name: 3-(3-ketopiperazino)-N-(3-thiocarbamoylphenyl)propionamide Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CCC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CN(CC(=O)N1)CCC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H18N4O2S/c15-14(21)10-2-1-3-11(8-10)17-12(19)4-6-18-7-5-16-13(20)9-18/h1-3,8H,4-7,9H2,(H2,15,21)(H,16,20)(H,17,19)