ethyl 4-(4-phenylbutan-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(4-phenylbutan-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-[(1-methyl-3-phenyl-propyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylbutan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O2S/c1-3-24-19(23)17-11-13-18(14-12-17)22-20(25)21-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3,(H2,21,22,25)