methyl 3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C23H27ClN4O3S2 MolecularWeight: 507.06848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN4O3S2/c1-3-27-10-12-28(13-11-27)20-9-4-16(22(30)31-2)14-19(20)25-23(32)26-21(29)15-33-18-7-5-17(24)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H2,25,26,29,32)