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

Systemtic Name: methyl 4-oxidanylidene-3-[[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-(4-benzylpiperidine-1-carbonyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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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)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4S/c1-37-29(36)24-11-12-25-26(18-24)31-30(38)33(28(25)35)19-22-7-9-23(10-8-22)27(34)32-15-13-21(14-16-32)17-20-5-3-2-4-6-20/h2-12,18,21H,13-17,19H2,1H3,(H,31,38)