N-(2-chloranyl-5-nitro-phenyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C25H21ClN4O4S/c1-14-8-9-17(12-15(14)2)29-24(32)19-6-4-5-7-21(19)28-25(29)35-16(3)23(31)27-22-13-18(30(33)34)10-11-20(22)26/h4-13,16H,1-3H3,(H,27,31)