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

Systemtic Name: ethyl 3,3-diethyl-1-(phenylcarbonylcarbamothioylamino)-4H-naphthalene-2-carboxylate Openeye Name: ethyl 1-(benzoylcarbamothioylamino)-3,3-diethyl-4H-naphthalene-2-carboxylate CAS Name: 1-[[benzamido(sulfanylidene)methyl]amino]-3,3-diethyl-4H-naphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzoylcarbamothioylamino)-3,3-diethyl-4H-naphthalene-2-carboxylate Traditional Name: 1-(benzoylthiocarbamoylamino)-3,3-diethyl-4H-naphthalene-2-carboxylic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=C1C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1(CC2=CC=CC=C2C(=C1C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)CC

InChI

InChI=1S/C25H28N2O3S/c1-4-25(5-2)16-18-14-10-11-15-19(18)21(20(25)23(29)30-6-3)26-24(31)27-22(28)17-12-8-7-9-13-17/h7-15H,4-6,16H2,1-3H3,(H2,26,27,28,31)