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

Systemtic Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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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)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-27(2,3)23(31)17-34-26-29-22-16-18(24(32)28-19-10-6-4-7-11-19)14-15-21(22)25(33)30(26)20-12-8-5-9-13-20/h5,8-9,12-16,19H,4,6-7,10-11,17H2,1-3H3,(H,28,32)