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

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2,4-dimethylphenyl)-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:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

InChI

InChI=1S/C24H29N3O2S/c1-15(2)12-13-27-23(29)19-8-6-7-9-21(19)26-24(27)30-18(5)22(28)25-20-11-10-16(3)14-17(20)4/h6-11,14-15,18H,12-13H2,1-5H3,(H,25,28)/t18-/m0/s1