1-(4-chloranyl-2-nitro-phenyl)-3-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)thiourea

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-3-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)thiourea Openeye Name: 1-(4-chloro-2-nitro-phenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea CAS Name: 1-(4-chloro-2-nitrophenyl)-3-(4-oxo-2-phenyl-3-quinazolinyl)thiourea IUPAC Name: 1-(4-chloro-2-nitrophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)thiourea Traditional Name: 1-(4-chloro-2-nitro-phenyl)-3-(4-keto-2-phenyl-quinazolin-3-yl)thiourea Formula: C21H14ClN5O3S MolecularWeight: 451.88556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN5O3S/c22-14-10-11-17(18(12-14)27(29)30)24-21(31)25-26-19(13-6-2-1-3-7-13)23-16-9-5-4-8-15(16)20(26)28/h1-12H,(H2,24,25,31)