propan-2-yl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-14(2)25-19(24)16-9-11-17(12-10-16)21-20(26)22-18(23)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H2,21,22,23,26)