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

Systemtic Name: 1-[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Openeye Name: [4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thiourea IUPAC Name: [4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)Br)NC(=S)N

Isomeric SMILES

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)Br)NC(=S)N

InChI

InChI=1S/C14H12BrN3OS/c15-10-1-6-13(19)9(7-10)8-17-11-2-4-12(5-3-11)18-14(16)20/h1-8,17H,(H3,16,18,20)