2-[3-(cyclohexylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[3-(cyclohexylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[3-(cyclohexylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[3-(cyclohexylmethyl)-4-oxo-2-quinazolinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[3-(cyclohexylmethyl)-4-keto-quinazolin-2-yl]thio]-N,N-diethyl-acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-3-23(4-2)19(25)15-27-21-22-18-13-9-8-12-17(18)20(26)24(21)14-16-10-6-5-7-11-16/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3