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

Systemtic Name: N-[4-chloranyl-3-(2-phenoxyethanoylcarbamothioylamino)phenyl]propanamide Openeye Name: N-[4-chloro-3-[(2-phenoxyacetyl)carbamothioylamino]phenyl]propanamide CAS Name: N-[4-chloro-3-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N-[4-chloro-3-[(2-phenoxyacetyl)carbamothioylamino]phenyl]propanamide Traditional Name: N-[4-chloro-3-[(2-phenoxyacetyl)thiocarbamoylamino]phenyl]propionamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-2-16(23)20-12-8-9-14(19)15(10-12)21-18(26)22-17(24)11-25-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,20,23)(H2,21,22,24,26)