2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C23H30N3OS2+ MolecularWeight: 428.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C(C)C

InChI

InChI=1S/C23H29N3OS2/c1-16(2)26(17(3)4)14-13-24-22(27)19-11-9-18(10-12-19)15-28-23-25-20-7-5-6-8-21(20)29-23/h5-12,16-17H,13-15H2,1-4H3,(H,24,27)/p+1