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

Systemtic Name: 1-[2-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C29H34ClN5O4S MolecularWeight: 584.12936

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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)NCC4=CC=CC=C4Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C29H34ClN5O4S/c1-2-3-6-13-35-28(39)22-10-9-20(27(38)34-14-11-19(12-15-34)26(31)37)16-24(22)33-29(35)40-18-25(36)32-17-21-7-4-5-8-23(21)30/h4-5,7-10,16,19H,2-3,6,11-15,17-18H2,1H3,(H2,31,37)(H,32,36)