3-methyl-2-methylsulfanyl-4-oxidanylidene-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]quinazoline-7-carboxamide

Systemtic Name: 3-methyl-2-methylsulfanyl-4-oxidanylidene-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]quinazoline-7-carboxamide Openeye Name: 3-methyl-2-methylsulfanyl-4-oxo-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]quinazoline-7-carboxamide CAS Name: 3-methyl-2-(methylthio)-4-oxo-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-7-quinazolinecarboxamide IUPAC Name: 3-methyl-2-methylsulfanyl-4-oxo-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-2-(methylthio)-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]quinazoline-7-carboxamide Formula: C27H32N6O4S2 MolecularWeight: 568.71078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3(CCNCC3)C(=O)N4CCCN(CC4)C(=O)C5=CC=CS5)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3(CCNCC3)C(=O)N4CCCN(CC4)C(=O)C5=CC=CS5)N=C1SC

InChI

InChI=1S/C27H32N6O4S2/c1-31-23(35)19-7-6-18(17-20(19)29-26(31)38-2)22(34)30-27(8-10-28-11-9-27)25(37)33-13-4-12-32(14-15-33)24(36)21-5-3-16-39-21/h3,5-7,16-17,28H,4,8-15H2,1-2H3,(H,30,34)