cyclohexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: cyclohexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: cyclohexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O3S/c26-21(16-11-17-7-3-1-4-8-17)25-23(29)24-19-14-12-18(13-15-19)22(27)28-20-9-5-2-6-10-20/h1,3-4,7-8,12-15,20H,2,5-6,9-11,16H2,(H2,24,25,26,29)