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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-(3,3-diphenylpropylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(3,3-diphenylpropylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C26H29N3O3S2/c1-17-21(25(31)32-4)23(34-22(17)24(30)29(2)3)28-26(33)27-16-15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,15-16H2,1-4H3,(H2,27,28,33)