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

Systemtic Name: methyl 3-[[4-[3-(2-ethylpiperidin-1-yl)propylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[3-(2-ethyl-1-piperidyl)propylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[3-(2-ethyl-1-piperidinyl)propylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[3-(2-ethylpiperidin-1-yl)propylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-[3-(2-ethylpiperidino)propylcarbamoyl]benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C28H34N4O4S MolecularWeight: 522.65896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

CCC1CCCCN1CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C28H34N4O4S/c1-3-22-7-4-5-15-31(22)16-6-14-29-25(33)20-10-8-19(9-11-20)18-32-26(34)23-13-12-21(27(35)36-2)17-24(23)30-28(32)37/h8-13,17,22H,3-7,14-16,18H2,1-2H3,(H,29,33)(H,30,37)