3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C20H15BrN2O3S MolecularWeight: 443.3137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C20H15BrN2O3S/c1-11-8-9-12(19(25)26)10-17(11)22-20(27)23-18(24)15-6-2-5-14-13(15)4-3-7-16(14)21/h2-10H,1H3,(H,25,26)(H2,22,23,24,27)