dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3,3-diphenylpropylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S2/c1-16-20(23(28)30-2)22(33-21(16)24(29)31-3)27-25(32)26-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,14-15H2,1-3H3,(H2,26,27,32)