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

Systemtic Name: N-(cyclohexylmethyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4S/c28-21(24-14-16-6-2-1-3-7-16)15-32-23-25-20-9-5-4-8-19(20)22(29)26(23)17-10-12-18(13-11-17)27(30)31/h4-5,8-13,16H,1-3,6-7,14-15H2,(H,24,28)