4-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[4-keto-2-[[2-keto-2-(m-anisidino)ethyl]thio]quinazolin-3-yl]butyramide Formula: C28H28N4O4S MolecularWeight: 516.61132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4S/c1-36-22-12-7-11-21(17-22)30-26(34)19-37-28-31-24-14-6-5-13-23(24)27(35)32(28)16-8-15-25(33)29-18-20-9-3-2-4-10-20/h2-7,9-14,17H,8,15-16,18-19H2,1H3,(H,29,33)(H,30,34)