ethyl 4-(4-phenylbutylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(4-phenylbutylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(4-phenylbutylcarbamothioylamino)benzoate CAS Name: 4-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylbutylcarbamothioylamino)benzoate Traditional Name: 4-(4-phenylbutylthiocarbamoylamino)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)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O2S/c1-2-24-19(23)17-11-13-18(14-12-17)22-20(25)21-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H2,21,22,25)