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

Systemtic Name: methyl 4-oxidanylidene-3-[(4-piperidin-1-ylcarbonylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-(piperidine-1-carbonyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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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)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H23N3O4S/c1-30-22(29)17-9-10-18-19(13-17)24-23(31)26(21(18)28)14-15-5-7-16(8-6-15)20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,31)