N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H20ClN3O3S/c1-3-18(25)22-14-7-10-16(21)17(12-14)23-20(28)24-19(26)11-6-13-4-8-15(27-2)9-5-13/h4-12H,3H2,1-2H3,(H,22,25)(H2,23,24,26,28)