ethyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S2/c1-3-28-23(27)19-13-18(11-16-7-5-4-6-8-16)32-22(19)26-24(31)25-15(2)17-9-10-20-21(12-17)30-14-29-20/h4-10,12-13,15H,3,11,14H2,1-2H3,(H2,25,26,31)