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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(4-m-anisylpiperazine-1-carbothioyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H34N4O4S2 MolecularWeight: 518.69186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OC)C

InChI

InChI=1S/C25H34N4O4S2/c1-6-28(7-2)23(30)21-17(3)20(24(31)33-5)22(35-21)26-25(34)29-13-11-27(12-14-29)16-18-9-8-10-19(15-18)32-4/h8-10,15H,6-7,11-14,16H2,1-5H3,(H,26,34)