ethyl 4,5-dimethyl-2-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[[(4-methyl-1-piperazinyl)-phenyliminomethyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[C-(4-methylpiperazin-1-yl)-N-phenylcarbonimidoyl]sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[[C-(4-methylpiperazino)-N-phenyl-carbonimidoyl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C23H30N4O3S2/c1-5-30-22(29)20-16(2)17(3)32-21(20)25-19(28)15-31-23(24-18-9-7-6-8-10-18)27-13-11-26(4)12-14-27/h6-10H,5,11-15H2,1-4H3,(H,25,28)