N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-3-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-15(2)19(21(29)26-12-10-25(3)11-13-26)24-20(28)16-6-7-17-18(14-16)30-22(23-17)27-8-4-5-9-27/h4-9,14-15,19H,10-13H2,1-3H3,(H,24,28)/p+1/t19-/m0/s1