(2S)-N-(cyclohexylcarbamoyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(cyclohexylcarbamoyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2S)-N-[(cyclohexylamino)-oxomethyl]-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2S)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-17(22(30)28-24(32)26-19-12-6-3-7-13-19)33-25-27-21-15-9-8-14-20(21)23(31)29(25)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H2,26,28,30,32)/t17-/m0/s1