methyl 2-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(benzothiophene-3-carbonylamino)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(benzothiophene-3-carbonylamino)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32)C

InChI

InChI=1S/C19H19N3O3S3/c1-4-11-10(2)28-17(15(11)18(24)25-3)20-19(26)22-21-16(23)13-9-27-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3,(H,21,23)(H2,20,22,26)