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

Systemtic Name: methyl 4-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(1-benzyl-4-piperidyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[1-(phenylmethyl)-4-piperidinyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzylpiperidin-4-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(1-benzyl-4-piperidyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-28-21(27)16-7-8-18-19(13-16)23-22(29)25(20(18)26)17-9-11-24(12-10-17)14-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H,23,29)