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

Systemtic Name: N-[4-[[2-(4-chlorophenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S/c1-2-3-17(26)22-16-10-6-14(7-11-16)19(28)24-25-20(29)23-18(27)12-13-4-8-15(21)9-5-13/h4-11H,2-3,12H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,29)