3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C(=O)O

InChI

InChI=1S/C21H18N2O4S/c1-12-15(20(25)26)8-5-9-17(12)22-21(28)23-19(24)16-10-13-6-3-4-7-14(13)11-18(16)27-2/h3-11H,1-2H3,(H,25,26)(H2,22,23,24,28)