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

Systemtic Name: methyl 3-[[4-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[3-(4-methyl-1-piperidyl)propylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[3-(4-methyl-1-piperidinyl)propylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-[3-(4-methylpiperidino)propylcarbamoyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4S/c1-18-10-14-30(15-11-18)13-3-12-28-24(32)20-6-4-19(5-7-20)17-31-25(33)22-9-8-21(26(34)35-2)16-23(22)29-27(31)36/h4-9,16,18H,3,10-15,17H2,1-2H3,(H,28,32)(H,29,36)