N-[4-chloranyl-3-(2-phenoxyethanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(2-phenoxyethanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-[(2-phenoxyacetyl)carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[(2-phenoxyacetyl)carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[(2-phenoxyacetyl)thiocarbamoylamino]phenyl]butyramide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H20ClN3O3S/c1-2-6-17(24)21-13-9-10-15(20)16(11-13)22-19(27)23-18(25)12-26-14-7-4-3-5-8-14/h3-5,7-11H,2,6,12H2,1H3,(H,21,24)(H2,22,23,25,27)