pentyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: pentyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: pentyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)benzoic acid amyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-2-3-7-16-27-21(26)18-11-13-19(14-12-18)23-22(28)24-20(25)15-10-17-8-5-4-6-9-17/h4-6,8-9,11-14H,2-3,7,10,15-16H2,1H3,(H2,23,24,25,28)