methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H20N2O4S2/c1-13(15-8-9-17-18(10-15)28-12-27-17)23-22(29)24-20-16(21(25)26-2)11-19(30-20)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,23,24,29)