1,3-benzothiazol-2-ylmethyl-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C21H22N4O2S/c1-25(13-20-24-17-8-4-5-9-18(17)28-20)12-19(26)23-16-7-3-2-6-15(16)21(27)22-14-10-11-14/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26)/p+1