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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C29H39N3O3S MolecularWeight: 509.70326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1C4CCCCC4

InChI

InChI=1S/C29H39N3O3S/c1-29(2,3)25(33)19-36-28-31-24-18-21(26(34)30-17-16-20-10-6-4-7-11-20)14-15-23(24)27(35)32(28)22-12-8-5-9-13-22/h10,14-15,18,22H,4-9,11-13,16-17,19H2,1-3H3,(H,30,34)