methyl 5-(diethylcarbamoyl)-2-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-(3-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C(=O)OC)C

InChI

InChI=1S/C23H30N4O4S2/c1-5-25(6-2)21(29)19-15(3)18(22(30)31-4)20(33-19)24-23(32)27-12-10-26(11-13-27)16-8-7-9-17(28)14-16/h7-9,14,28H,5-6,10-13H2,1-4H3,(H,24,32)