N-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-29(2,3)25(33)19-36-28-31-24-18-21(26(34)30-22-12-8-5-9-13-22)14-15-23(24)27(35)32(28)17-16-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,22H,5,8-9,12-13,16-17,19H2,1-3H3,(H,30,34)