1-[(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino]urea

Systemtic Name: 1-[(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino]urea Openeye Name: [(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino]urea CAS Name: [(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino]urea IUPAC Name: [(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino]urea Traditional Name: [(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino]urea Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NNC(=O)N)C2=CC=CC=C2SC1

Isomeric SMILES

C1C/C(=N\NC(=O)N)/C2=CC=CC=C2SC1

InChI

InChI=1S/C11H13N3OS/c12-11(15)14-13-9-5-3-7-16-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2,(H3,12,14,15)/b13-9+