(2S)-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methyl-propanamide

Systemtic Name: (2S)-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methyl-propanamide Openeye Name: (2S)-2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methyl-propanamide CAS Name: (2S)-2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-cyclohexyl-N-methylpropanamide IUPAC Name: (2S)-2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methylpropanamide Traditional Name: (2S)-2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-cyclohexyl-N-methyl-propionamide Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N(C)C1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O2S/c1-17(23(30)28(2)20-11-7-4-8-12-20)32-25-27-22-15-19(26)13-14-21(22)24(31)29(25)16-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,17,20H,4,7-8,11-12,16H2,1-2H3/t17-/m0/s1