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

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]propanamide Openeye Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]propanamide CAS Name: N-[3-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]propanamide Traditional Name: N-[3-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]phenyl]propionamide Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2S2/c1-2-16(23)20-13-4-3-5-14(10-13)21-18(25)22-17(24)11-26-15-8-6-12(19)7-9-15/h3-10H,2,11H2,1H3,(H,20,23)(H2,21,22,24,25)