2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: 2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-N-(2-oxolanylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: 2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-N-(oxolan-2-ylmethyl)-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC=C

InChI

InChI=1S/C27H30N4O5S/c1-3-13-31-26(34)22-12-7-18(25(33)28-16-21-6-5-14-36-21)15-23(22)30-27(31)37-17-24(32)29-19-8-10-20(11-9-19)35-4-2/h3,7-12,15,21H,1,4-6,13-14,16-17H2,2H3,(H,28,33)(H,29,32)