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

Systemtic Name: 1-[2-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-[benzyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]thio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[[2-[benzyl(methyl)amino]-2-keto-ethyl]thio]-4-keto-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)N(C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C30H37N5O4S/c1-3-4-8-15-35-29(39)24-12-11-23(28(38)34-16-13-22(14-17-34)27(31)37)18-25(24)32-30(35)40-20-26(36)33(2)19-21-9-6-5-7-10-21/h5-7,9-12,18,22H,3-4,8,13-17,19-20H2,1-2H3,(H2,31,37)