2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC

InChI

InChI=1S/C23H27N3O2S/c1-4-6-9-17-12-14-18(15-13-17)26-22(28)19-10-7-8-11-20(19)25-23(26)29-16(3)21(27)24-5-2/h7-8,10-16H,4-6,9H2,1-3H3,(H,24,27)