4-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]butyramide Formula: C15H20ClN3O2S MolecularWeight: 341.8562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C15H20ClN3O2S/c1-10(2)14(21)17-11-5-7-12(8-6-11)18-15(22)19-13(20)4-3-9-16/h5-8,10H,3-4,9H2,1-2H3,(H,17,21)(H2,18,19,20,22)