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

Systemtic Name: N-[4-[[2-(4-chlorophenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O3S/c21-15-7-1-12(2-8-15)11-17(26)23-20(29)25-24-19(28)14-5-9-16(10-6-14)22-18(27)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,22,27)(H,24,28)(H2,23,25,26,29)