N-aminocarbonyl-2-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]propanamide

Systemtic Name: N-aminocarbonyl-2-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]propanamide Openeye Name: 2-(N-(3-amino-3-thioxo-propyl)anilino)-N-carbamoyl-propanamide CAS Name: 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-carbamoylpropanamide IUPAC Name: 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-carbamoylpropanamide Traditional Name: 2-(N-(3-amino-3-thioxo-propyl)anilino)-N-carbamoyl-propionamide Formula: C13H18N4O2S MolecularWeight: 294.37262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)N(CCC(=S)N)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(=O)N)N(CCC(=S)N)C1=CC=CC=C1

InChI

InChI=1S/C13H18N4O2S/c1-9(12(18)16-13(15)19)17(8-7-11(14)20)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,20)(H3,15,16,18,19)