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

Systemtic Name: ethyl 2-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(benzothiophene-3-carbonylamino)carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(benzothiophene-3-carbonylamino)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H21N3O3S3 MolecularWeight: 495.63684

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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=CSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C24H21N3O3S3/c1-2-30-23(29)18-13-16(12-15-8-4-3-5-9-15)33-22(18)25-24(31)27-26-21(28)19-14-32-20-11-7-6-10-17(19)20/h3-11,13-14H,2,12H2,1H3,(H,26,28)(H2,25,27,31)