methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-13(16-9-10-17-18(11-16)29-12-28-17)24-23(30)25-21-20(22(26)27-3)19(14(2)31-21)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H2,24,25,30)