N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-3-(2-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-3-(4-keto-2-methyl-quinazolin-3-yl)propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C(=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C(=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C25H25N3O2S/c1-3-18-10-12-19(13-11-18)24(22-9-6-16-31-22)27-23(29)14-15-28-17(2)26-21-8-5-4-7-20(21)25(28)30/h4-13,16,24H,3,14-15H2,1-2H3,(H,27,29)