3-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(5-chloro-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(5-chloro-1-naphthoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

InChI=1S/C20H15ClN2O4S/c1-27-17-9-8-11(19(25)26)10-16(17)22-20(28)23-18(24)14-6-2-5-13-12(14)4-3-7-15(13)21/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)