(5-phenyl-1,3-benzothiazol-2-yl)methyl carbamimidothioate

Systemtic Name: (5-phenyl-1,3-benzothiazol-2-yl)methyl carbamimidothioate Openeye Name: 2-[(5-phenyl-1,3-benzothiazol-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-phenyl-1,3-benzothiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3-benzothiazol-2-yl)methyl carbamimidothioate Traditional Name: 2-[(5-phenyl-1,3-benzothiazol-2-yl)methyl]isothiourea Formula: C15H13N3S2 MolecularWeight: 299.41382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=N3)CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=N3)CSC(=N)N

InChI

InChI=1S/C15H13N3S2/c16-15(17)19-9-14-18-12-8-11(6-7-13(12)20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H3,16,17)