[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: [2-(2-methoxyanilino)-2-oxoethyl]-propyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl]-propyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: [2-keto-2-(o-anisidino)ethyl]-propyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C20H23N3O2S2/c1-3-12-22(13-19(24)21-15-8-4-6-10-17(15)25-2)14-23-16-9-5-7-11-18(16)27-20(23)26/h4-11H,3,12-14H2,1-2H3,(H,21,24)/p+1