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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C31H37N3O3S MolecularWeight: 531.70878

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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)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O3S/c1-31(2,3)27(35)21-38-30-33-26-20-24(28(36)32-18-16-22-10-6-4-7-11-22)14-15-25(26)29(37)34(30)19-17-23-12-8-5-9-13-23/h5,8-10,12-15,20H,4,6-7,11,16-19,21H2,1-3H3,(H,32,36)