N-[3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-2-methyl-phenyl]cyclopropanecarboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3CC3

InChI

InChI=1S/C20H20ClN3O2S/c1-12-16(22-19(26)14-7-8-14)3-2-4-17(12)23-20(27)24-18(25)11-13-5-9-15(21)10-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,22,26)(H2,23,24,25,27)