methyl 2-[(1H-indol-3-ylcarbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1H-indol-3-ylcarbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1H-indole-3-carbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1H-indol-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1H-indole-3-carbonylamino)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1H-indole-3-carbonylamino)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C17H16N4O3S2/c1-9-7-11(16(23)24-2)15(26-9)19-17(25)21-20-14(22)12-8-18-13-6-4-3-5-10(12)13/h3-8,18H,1-2H3,(H,20,22)(H2,19,21,25)