1,3-benzothiazol-2-ylmethyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-[anilino(oxo)methyl]phenyl]methyl-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[4-(phenylcarbamoyl)benzyl]ammonium Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3OS/c1-26(16-22-25-20-9-5-6-10-21(20)28-22)15-17-11-13-18(14-12-17)23(27)24-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,27)/p+1