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

Systemtic Name: N-[4-[[2-(4-chlorophenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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