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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C30H31N3O3S MolecularWeight: 513.65044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O3S/c1-30(2,3)26(34)20-37-29-32-25-18-23(27(35)31-19-22-12-8-5-9-13-22)14-15-24(25)28(36)33(29)17-16-21-10-6-4-7-11-21/h4-15,18H,16-17,19-20H2,1-3H3,(H,31,35)