ethyl 7-methyl-1-(phenylcarbonylcarbamothioylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate

Systemtic Name: ethyl 7-methyl-1-(phenylcarbonylcarbamothioylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate Openeye Name: ethyl 1-(benzoylcarbamothioylamino)-7-methyl-spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate CAS Name: 1-[[benzamido(sulfanylidene)methyl]amino]-7-methyl-2-spiro[4H-naphthalene-3,1'-cyclohexane]carboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzoylcarbamothioylamino)-7-methylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate Traditional Name: 1-(benzoylthiocarbamoylamino)-7-methyl-spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylic acid ethyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(CC13CCCCC3)C=CC(=C2)C)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(CC13CCCCC3)C=CC(=C2)C)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-3-32-25(31)22-23(28-26(33)29-24(30)19-10-6-4-7-11-19)21-16-18(2)12-13-20(21)17-27(22)14-8-5-9-15-27/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3,(H2,28,29,30,33)