2-[1,3-benzothiazol-2-yl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[3-(p-tolylsulfanyl)propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[3-(p-tolylthio)propanoyl]amino]ethyl-diethyl-ammonium Formula: C23H30N3OS2+ MolecularWeight: 428.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3OS2/c1-4-25(5-2)15-16-26(23-24-20-8-6-7-9-21(20)29-23)22(27)14-17-28-19-12-10-18(3)11-13-19/h6-13H,4-5,14-17H2,1-3H3/p+1