methyl 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(4-heptoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-heptoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

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