1-[[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]methylideneamino]-3-(4-chlorophenyl)thiourea

Systemtic Name: 1-[[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]methylideneamino]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]methyleneamino]-3-(4-chlorophenyl)thiourea CAS Name: 1-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]methylideneamino]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]methylideneamino]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]methyleneamino]-3-(4-chlorophenyl)thiourea Formula: C22H15BrClN5OS MolecularWeight: 512.8094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=NNC(=S)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=NNC(=S)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrClN5OS/c23-14-5-11-17(12-6-14)29-20(27-19-4-2-1-3-18(19)21(29)30)13-25-28-22(31)26-16-9-7-15(24)8-10-16/h1-13H,(H2,26,28,31)