phenyl 4-(3-methylphenyl)-1-oxidanylidene-3-sulfanylidene-2,4-diazaspiro[4.5]decane-2-carboxylate

Systemtic Name: phenyl 4-(3-methylphenyl)-1-oxidanylidene-3-sulfanylidene-2,4-diazaspiro[4.5]decane-2-carboxylate Openeye Name: phenyl 4-(m-tolyl)-1-oxo-3-thioxo-2,4-diazaspiro[4.5]decane-2-carboxylate CAS Name: 4-(3-methylphenyl)-1-oxo-3-sulfanylidene-2,4-diazaspiro[4.5]decane-2-carboxylic acid phenyl ester IUPAC Name: phenyl 4-(3-methylphenyl)-1-oxo-3-sulfanylidene-2,4-diazaspiro[4.5]decane-2-carboxylate Traditional Name: 1-keto-4-(m-tolyl)-3-thioxo-2,4-diazaspiro[4.5]decane-2-carboxylic acid phenyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=S)N(C(=O)C23CCCCC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=S)N(C(=O)C23CCCCC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S/c1-16-9-8-10-17(15-16)24-20(28)23(19(25)22(24)13-6-3-7-14-22)21(26)27-18-11-4-2-5-12-18/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3