N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3-isopropoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-4-18(25)22-14-8-9-16(21)17(11-14)23-20(28)24-19(26)13-6-5-7-15(10-13)27-12(2)3/h5-12H,4H2,1-3H3,(H,22,25)(H2,23,24,26,28)