methyl 3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O3S/c1-26-9-11-27(12-10-26)19-8-5-16(21(29)30-2)14-18(19)24-22(31)25-20(28)13-15-3-6-17(23)7-4-15/h3-8,14H,9-13H2,1-2H3,(H2,24,25,28,31)