3-methyl-N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-methyl-2-methylsulfanyl-4-oxo-N-[4-[2-(p-tolylsulfonylamino)ethylcarbamoyl]-4-piperidyl]quinazoline-7-carboxamide CAS Name: 3-methyl-N-[4-[[2-[(4-methylphenyl)sulfonylamino]ethylamino]-oxomethyl]-4-piperidinyl]-2-(methylthio)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-methyl-N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-methylsulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-2-(methylthio)-N-[4-[2-(tosylamino)ethylcarbamoyl]-4-piperidyl]quinazoline-7-carboxamide Formula: C26H32N6O5S2 MolecularWeight: 572.69948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SC)C

InChI

InChI=1S/C26H32N6O5S2/c1-17-4-7-19(8-5-17)39(36,37)29-15-14-28-24(35)26(10-12-27-13-11-26)31-22(33)18-6-9-20-21(16-18)30-25(38-3)32(2)23(20)34/h4-9,16,27,29H,10-15H2,1-3H3,(H,28,35)(H,31,33)