4-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-methyl-amino]methyl]benzamide

Systemtic Name: 4-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-methyl-amino]methyl]benzamide Openeye Name: 4-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-methyl-amino]methyl]benzamide CAS Name: 4-[[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-methylamino]methyl]benzamide IUPAC Name: 4-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-methylamino]methyl]benzamide Traditional Name: 4-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]-methyl-amino]methyl]benzamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21N3O2S2/c1-27(14-16-6-10-18(11-7-16)22(25)28)23(29)19-12-8-17(9-13-19)15-30-24-26-20-4-2-3-5-21(20)31-24/h2-13H,14-15H2,1H3,(H2,25,28)