1-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pentyl-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazoline-7-carbonyl]isonipecotamide Formula: C30H37N5O4S MolecularWeight: 563.71088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H37N5O4S/c1-2-3-7-16-35-29(39)24-11-10-23(28(38)34-17-13-22(14-18-34)27(31)37)19-25(24)33-30(35)40-20-26(36)32-15-12-21-8-5-4-6-9-21/h4-6,8-11,19,22H,2-3,7,12-18,20H2,1H3,(H2,31,37)(H,32,36)