methyl 2-[4-(3,3-diphenylpropylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(3,3-diphenylpropylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(3,3-diphenylpropylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3,3-diphenylpropylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(3,3-diphenylpropylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-29-24(28)18-19-12-14-22(15-13-19)27-25(30)26-17-16-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H2,26,27,30)