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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N,N-diethyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N,N-diethyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N,N-diethyl-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N,N-diethyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N,N-diethyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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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)C3=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)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3S/c1-6-27(7-2)22(30)17-13-14-19-20(15-17)26-24(32-16-21(29)25(3,4)5)28(23(19)31)18-11-9-8-10-12-18/h8-15H,6-7,16H2,1-5H3