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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(1-methylindol-3-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(1-methylindole-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[(1-methyl-3-indolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(1-methylindole-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[(1-methylindole-3-carbonyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=CN(C3=CC=CC=C32)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=CN(C3=CC=CC=C32)C)C(=O)OC)C

InChI

InChI=1S/C23H27N5O4S2/c1-6-28(7-2)21(30)18-13(3)17(22(31)32-5)20(34-18)24-23(33)26-25-19(29)15-12-27(4)16-11-9-8-10-14(15)16/h8-12H,6-7H2,1-5H3,(H,25,29)(H2,24,26,33)