ethyl 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

InChI

InChI=1S/C22H20N2O4S/c1-3-28-21(26)14-8-10-17(11-9-14)23-22(29)24-20(25)18-12-15-6-4-5-7-16(15)13-19(18)27-2/h4-13H,3H2,1-2H3,(H2,23,24,25,29)