methyl 3-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NC4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C25H27N3O4S/c1-32-24(31)18-12-13-20-21(14-18)27-25(33)28(23(20)30)15-16-8-10-17(11-9-16)22(29)26-19-6-4-2-3-5-7-19/h8-14,19H,2-7,15H2,1H3,(H,26,29)(H,27,33)