methyl 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-16-8-6-7-11-20(16)26-22(29)15-33-25-27-21-14-17(24(31)32-2)12-13-19(21)23(30)28(25)18-9-4-3-5-10-18/h3-5,9-10,12-14,16,20H,6-8,11,15H2,1-2H3,(H,26,29)/t16-,20+/m0/s1