3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-propionamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-2-21-12-14-23(15-13-21)31-27(35)20-37-29-32-25-11-7-6-10-24(25)28(36)33(29)19-17-26(34)30-18-16-22-8-4-3-5-9-22/h3-15H,2,16-20H2,1H3,(H,30,34)(H,31,35)