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

Systemtic Name: methyl 3-[[4-[2-(4-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[2-(4-methyl-1-piperidyl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[2-(4-methyl-1-piperidinyl)ethylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(4-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-[2-(4-methylpiperidino)ethylcarbamoyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

CC1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C26H30N4O4S/c1-17-9-12-29(13-10-17)14-11-27-23(31)19-5-3-18(4-6-19)16-30-24(32)21-8-7-20(25(33)34-2)15-22(21)28-26(30)35/h3-8,15,17H,9-14,16H2,1-2H3,(H,27,31)(H,28,35)