3,3-dimethyl-1-(phenylcarbonylcarbamothioylamino)-4H-naphthalene-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-1-(phenylcarbonylcarbamothioylamino)-4H-naphthalene-2-carboxylic acid Openeye Name: 1-(benzoylcarbamothioylamino)-3,3-dimethyl-4H-naphthalene-2-carboxylic acid CAS Name: 1-[[benzamido(sulfanylidene)methyl]amino]-3,3-dimethyl-4H-naphthalene-2-carboxylic acid IUPAC Name: 1-(benzoylcarbamothioylamino)-3,3-dimethyl-4H-naphthalene-2-carboxylic acid Traditional Name: 1-(benzoylthiocarbamoylamino)-3,3-dimethyl-4H-naphthalene-2-carboxylic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=C1C(=O)O)NC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=C1C(=O)O)NC(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O3S/c1-21(2)12-14-10-6-7-11-15(14)17(16(21)19(25)26)22-20(27)23-18(24)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,25,26)(H2,22,23,24,27)