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

Systemtic Name: diethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3,3-diphenylpropylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3,3-diphenylpropylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O4S2/c1-4-32-25(30)22-18(3)23(26(31)33-5-2)35-24(22)29-27(34)28-17-16-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21H,4-5,16-17H2,1-3H3,(H2,28,29,34)