N-(4-ethoxyphenyl)-2-[7-(4-methylpiperazin-1-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[7-(4-methylpiperazin-1-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-allyl-7-(4-methylpiperazine-1-carbonyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[7-[(4-methyl-1-piperazinyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[7-(4-methylpiperazine-1-carbonyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-7-(4-methylpiperazine-1-carbonyl)quinazolin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C27H31N5O4S MolecularWeight: 521.63114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)C(=O)N2CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)C(=O)N2CC=C

InChI

InChI=1S/C27H31N5O4S/c1-4-12-32-26(35)22-11-6-19(25(34)31-15-13-30(3)14-16-31)17-23(22)29-27(32)37-18-24(33)28-20-7-9-21(10-8-20)36-5-2/h4,6-11,17H,1,5,12-16,18H2,2-3H3,(H,28,33)