ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate CAS Name: 4-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3,3-diphenylpropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S/c1-2-29-24(28)21-13-15-22(16-14-21)27-25(30)26-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3,(H2,26,27,30)