1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl]-methyl-ammonium Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N4O2S/c1-17-8-7-9-18(14-17)26-25(31)19-10-3-4-11-20(19)27-23(30)15-29(2)16-24-28-21-12-5-6-13-22(21)32-24/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,30)/p+1