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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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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)N1CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3S/c1-30(2,3)26(34)20-37-29-32-25-18-23(27(35)31-17-16-21-10-6-4-7-11-21)14-15-24(25)28(36)33(29)19-22-12-8-5-9-13-22/h5,8-10,12-15,18H,4,6-7,11,16-17,19-20H2,1-3H3,(H,31,35)