1-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]quinazoline-7-carbonyl]isonipecotamide Formula: C28H31N5O5S MolecularWeight: 549.64124

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)N4CCC(CC4)C(=O)N)C(=O)N2CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2CC=C

InChI

InChI=1S/C28H31N5O5S/c1-3-13-33-27(37)22-10-5-19(26(36)32-14-11-18(12-15-32)25(29)35)16-23(22)31-28(33)39-17-24(34)30-20-6-8-21(9-7-20)38-4-2/h3,5-10,16,18H,1,4,11-15,17H2,2H3,(H2,29,35)(H,30,34)