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

Systemtic Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[3-(2-chlorophenyl)propanoylthiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-2-5-18(27)23-16-11-8-15(9-12-16)20(29)25-26-21(30)24-19(28)13-10-14-6-3-4-7-17(14)22/h3-4,6-9,11-12H,2,5,10,13H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)