ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O4S2/c1-2-25-20(24)15-11-18(13-6-4-3-5-7-13)29-19(15)23-21(28)22-14-8-9-16-17(10-14)27-12-26-16/h3-11H,2,12H2,1H3,(H2,22,23,28)