N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c1-4-17(24)21-12-6-7-13(20)14(10-12)22-19(28)23-18(25)11-5-8-15(26-2)16(9-11)27-3/h5-10H,4H2,1-3H3,(H,21,24)(H2,22,23,25,28)