ethyl 3,3-dimethyl-1-(phenylcarbonylcarbamothioylamino)-4H-naphthalene-2-carboxylate

Systemtic Name: ethyl 3,3-dimethyl-1-(phenylcarbonylcarbamothioylamino)-4H-naphthalene-2-carboxylate Openeye Name: ethyl 1-(benzoylcarbamothioylamino)-3,3-dimethyl-4H-naphthalene-2-carboxylate CAS Name: 1-[[benzamido(sulfanylidene)methyl]amino]-3,3-dimethyl-4H-naphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzoylcarbamothioylamino)-3,3-dimethyl-4H-naphthalene-2-carboxylate Traditional Name: 1-(benzoylthiocarbamoylamino)-3,3-dimethyl-4H-naphthalene-2-carboxylic acid ethyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2CC1(C)C)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2CC1(C)C)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-4-28-21(27)18-19(17-13-9-8-12-16(17)14-23(18,2)3)24-22(29)25-20(26)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3,(H2,24,25,26,29)