N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]pentanamide

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]pentanamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]valeramide Formula: C16H21ClN4O3S MolecularWeight: 384.88094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C16H21ClN4O3S/c1-2-3-8-13(22)19-16(25)21-20-15(24)10-9-14(23)18-12-7-5-4-6-11(12)17/h4-7H,2-3,8-10H2,1H3,(H,18,23)(H,20,24)(H2,19,21,22,25)