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

Systemtic Name: ethyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(piperonyloylamino)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21N3O5S2/c1-2-29-22(28)17-12-16(10-14-6-4-3-5-7-14)33-21(17)24-23(32)26-25-20(27)15-8-9-18-19(11-15)31-13-30-18/h3-9,11-12H,2,10,13H2,1H3,(H,25,27)(H2,24,26,32)