1,3-bis[1,3-benzothiazol-2-yl(sulfanyl)methyl]urea

Systemtic Name: 1,3-bis[1,3-benzothiazol-2-yl(sulfanyl)methyl]urea Openeye Name: 1,3-bis[1,3-benzothiazol-2-yl(sulfanyl)methyl]urea CAS Name: 1,3-bis[1,3-benzothiazol-2-yl(mercapto)methyl]urea IUPAC Name: 1,3-bis[1,3-benzothiazol-2-yl(sulfanyl)methyl]urea Traditional Name: 1,3-bis[1,3-benzothiazol-2-yl(mercapto)methyl]urea Formula: C17H14N4OS4 MolecularWeight: 418.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(NC(=O)NC(C3=NC4=CC=CC=C4S3)S)S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(NC(=O)NC(C3=NC4=CC=CC=C4S3)S)S

InChI

InChI=1S/C17H14N4OS4/c22-17(20-13(23)15-18-9-5-1-3-7-11(9)25-15)21-14(24)16-19-10-6-2-4-8-12(10)26-16/h1-8,13-14,23-24H,(H2,20,21,22)