methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H34N4O5S3 MolecularWeight: 566.75626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)OC)C

InChI

InChI=1S/C25H34N4O5S3/c1-6-28(7-2)23(30)21-17(4)20(24(31)34-5)22(36-21)27-25(35)26-18-8-10-19(11-9-18)37(32,33)29-14-12-16(3)13-15-29/h8-11,16H,6-7,12-15H2,1-5H3,(H2,26,27,35)