[3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)azanium

Systemtic Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)azanium Openeye Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)ammonium CAS Name: [3-acetamido-5-[(2-methoxyanilino)-oxomethyl]phenyl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)ammonium IUPAC Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)azanium Traditional Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]benzyl]-(piazthiol-5-ylmethyl)ammonium Formula: C24H24N5O3S+ MolecularWeight: 462.54406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC3=NSN=C3C=C2)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC3=NSN=C3C=C2)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C24H23N5O3S/c1-15(30)26-19-10-17(14-25-13-16-7-8-20-22(11-16)29-33-28-20)9-18(12-19)24(31)27-21-5-3-4-6-23(21)32-2/h3-12,25H,13-14H2,1-2H3,(H,26,30)(H,27,31)/p+1