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

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-24-9-11-25(12-10-24)19-8-3-15(21(27)28-2)13-18(19)23-20(26)14-29-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)