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

Systemtic Name: methyl 2-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(benzothiophene-3-carbonylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(benzothiophene-3-carbonylamino)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H17N3O3S3/c1-3-10-8-12(17(23)24-2)16(27-10)19-18(25)21-20-15(22)13-9-26-14-7-5-4-6-11(13)14/h4-9H,3H2,1-2H3,(H,20,22)(H2,19,21,25)