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

Systemtic Name: ethyl 2-[(1H-indol-3-ylcarbonylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1H-indole-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1H-indol-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1H-indole-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1H-indole-3-carbonylamino)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H22N4O3S2/c1-2-31-23(30)18-13-16(12-15-8-4-3-5-9-15)33-22(18)26-24(32)28-27-21(29)19-14-25-20-11-7-6-10-17(19)20/h3-11,13-14,25H,2,12H2,1H3,(H,27,29)(H2,26,28,32)