2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N,N-diethyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N,N-diethyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N,N-diethyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N,N-diethyl-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N,N-diethyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N,N-diethyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-6-28(7-2)23(31)19-13-14-20-21(15-19)27-25(33-17-22(30)26(3,4)5)29(24(20)32)16-18-11-9-8-10-12-18/h8-15H,6-7,16-17H2,1-5H3