1-[4-[[2,3-bis(bromanyl)-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]thiourea

Systemtic Name: 1-[4-[[2,3-bis(bromanyl)-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]thiourea Openeye Name: [4-[(2,3-dibromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[(2,3-dibromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thiourea IUPAC Name: [4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(2,3-dibromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C15H13Br2N3O2S MolecularWeight: 459.15562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)Br)Br

Isomeric SMILES

COC1=CC(=C(C(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)Br)Br

InChI

InChI=1S/C15H13Br2N3O2S/c1-22-12-6-11(16)13(17)10(14(12)21)7-19-8-2-4-9(5-3-8)20-15(18)23/h2-7,19H,1H3,(H3,18,20,23)