(2S)-N-(cyclohexylmethyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(cyclohexylmethyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(cyclohexylmethyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(cyclohexylmethyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(cyclohexylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(cyclohexylmethyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H25N3O2S/c1-13(17(23)20-12-14-8-4-3-5-9-14)25-19-21-16-11-7-6-10-15(16)18(24)22(19)2/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,20,23)/t13-/m0/s1