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

Systemtic Name: methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[(cyclohexylamino)-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-(cyclohexylcarbamoyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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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)NC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C24H25N3O4S/c1-31-23(30)17-11-12-19-20(13-17)26-24(32)27(22(19)29)14-15-7-9-16(10-8-15)21(28)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,25,28)(H,26,32)