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

Systemtic Name: N-[4-[2-[(4-chlorophenyl)carbonylamino]ethylcarbamoyl]piperidin-4-yl]-3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]-4-piperidyl]-3-methyl-2-methylsulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[4-[[2-[[(4-chlorophenyl)-oxomethyl]amino]ethylamino]-oxomethyl]-4-piperidinyl]-3-methyl-2-(methylthio)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]-4-piperidyl]-4-keto-3-methyl-2-(methylthio)quinazoline-7-carboxamide Formula: C26H29ClN6O4S MolecularWeight: 557.06426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3(CCNCC3)C(=O)NCCNC(=O)C4=CC=C(C=C4)Cl)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3(CCNCC3)C(=O)NCCNC(=O)C4=CC=C(C=C4)Cl)N=C1SC

InChI

InChI=1S/C26H29ClN6O4S/c1-33-23(36)19-8-5-17(15-20(19)31-25(33)38-2)22(35)32-26(9-11-28-12-10-26)24(37)30-14-13-29-21(34)16-3-6-18(27)7-4-16/h3-8,15,28H,9-14H2,1-2H3,(H,29,34)(H,30,37)(H,32,35)