1,3-benzothiazol-2-ylmethyl-[[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl]-methyl-azanium Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-(N-acetylanilino)-4-thiazolyl]methyl-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-(N-acetylanilino)thiazol-4-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C21H21N4OS2+ MolecularWeight: 409.54764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS2/c1-15(26)25(17-8-4-3-5-9-17)21-22-16(14-27-21)12-24(2)13-20-23-18-10-6-7-11-19(18)28-20/h3-11,14H,12-13H2,1-2H3/p+1