3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

InChI

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