N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[3-(2-chlorophenyl)propanoylthiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-17-4-2-1-3-13(17)9-12-18(27)24-21(30)26-25-20(29)15-7-10-16(11-8-15)23-19(28)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9,12H2,(H,23,28)(H,25,29)(H2,24,26,27,30)