methyl 3-[[4-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[[(1R,2R)-2-methylcyclohexyl]amino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C25H27N3O4S/c1-15-5-3-4-6-20(15)26-22(29)17-9-7-16(8-10-17)14-28-23(30)19-12-11-18(24(31)32-2)13-21(19)27-25(28)33/h7-13,15,20H,3-6,14H2,1-2H3,(H,26,29)(H,27,33)/t15-,20-/m1/s1