[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: 2-thienyl-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: 2-thienyl-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H18N3OS3+ MolecularWeight: 376.53932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N3OS3/c21-16(15-6-3-11-23-15)19-9-7-18(8-10-19)12-20-13-4-1-2-5-14(13)24-17(20)22/h1-6,11H,7-10,12H2/p+1