3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S/c1-11-13(20(26)27)8-5-9-16(11)23-21(29)24-19(25)15-10-12-6-3-4-7-14(12)17(22)18(15)28-2/h3-10H,1-2H3,(H,26,27)(H2,23,24,25,29)