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

Systemtic Name: N-[4-[[2-(4-chlorophenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-2-3-4-18(27)23-17-11-7-15(8-12-17)20(29)25-26-21(30)24-19(28)13-14-5-9-16(22)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)