butyl 2-chloranyl-5-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: butyl 2-chloranyl-5-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 2-chloro-5-(naphthalene-1-carbonylcarbamothioylamino)benzoate CAS Name: 2-chloro-5-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-chloro-5-(naphthalene-1-carbonylcarbamothioylamino)benzoate Traditional Name: 2-chloro-5-(1-naphthoylthiocarbamoylamino)benzoic acid butyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-2-3-13-29-22(28)19-14-16(11-12-20(19)24)25-23(30)26-21(27)18-10-6-8-15-7-4-5-9-17(15)18/h4-12,14H,2-3,13H2,1H3,(H2,25,26,27,30)