1,3-benzothiazol-2-ylmethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C17H17N4OS2+ MolecularWeight: 357.47308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N4OS2/c1-21(11-16-19-13-4-2-3-5-14(13)24-16)8-6-15(22)20-17-12(10-18)7-9-23-17/h2-5,7,9H,6,8,11H2,1H3,(H,20,22)/p+1