1-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NNC=C2C=CC(=O)C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NNC=C2C=CC(=O)C=C2)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-22-15-7-4-12(8-14(15)17)9-18-16(23)20-19-10-11-2-5-13(21)6-3-11/h2-8,10,19H,9H2,1H3,(H2,18,20,23)