(2S)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C24H29N3O2S/c1-5-18-10-12-19(13-11-18)25-22(28)17(4)30-24-26-21-9-7-6-8-20(21)23(29)27(24)15-14-16(2)3/h6-13,16-17H,5,14-15H2,1-4H3,(H,25,28)/t17-/m0/s1