N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[4-(imidazol-1-ylmethyl)benzyl]amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C18H16N4O2S/c23-25(24)17-4-2-1-3-16(17)18(21-25)20-11-14-5-7-15(8-6-14)12-22-10-9-19-13-22/h1-10,13H,11-12H2,(H,20,21)