dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3,3-diphenylpropylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(3,3-diphenylpropylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-31-24(29)20-15-21(25(30)32-2)17-22(16-20)28-26(33)27-14-13-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,23H,13-14H2,1-2H3,(H2,27,28,33)