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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[3-(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(=C3)C(=O)NC4CC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

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