propyl 4-[(2-pentoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(2-pentoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(2-pentoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(2-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-pentoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-amoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C23H28N2O4S/c1-3-5-8-16-28-20-10-7-6-9-19(20)21(26)25-23(30)24-18-13-11-17(12-14-18)22(27)29-15-4-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H2,24,25,26,30)