butyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-butoxycarbonylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C23H28N2O4S/c1-3-5-15-28-21(26)17-7-11-19(12-8-17)24-23(30)25-20-13-9-18(10-14-20)22(27)29-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H2,24,25,30)