methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(3,3-diphenylpropylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C28H33N3O3S2/c1-5-31(6-2)26(32)24-19(3)23(27(33)34-4)25(36-24)30-28(35)29-18-17-22(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22H,5-6,17-18H2,1-4H3,(H2,29,30,35)