N-[3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]phenyl]valeramide Formula: C20H22ClN3O2S2 MolecularWeight: 435.99058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O2S2/c1-2-3-7-18(25)22-15-5-4-6-16(12-15)23-20(27)24-19(26)13-28-17-10-8-14(21)9-11-17/h4-6,8-12H,2-3,7,13H2,1H3,(H,22,25)(H2,23,24,26,27)