N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C28H39N3O3S/c1-5-6-10-17-31-26(34)22-14-13-21(25(33)29-16-15-20-11-8-7-9-12-20)18-23(22)30-27(31)35-19-24(32)28(2,3)4/h11,13-14,18H,5-10,12,15-17,19H2,1-4H3,(H,29,33)