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

Systemtic Name: N-[(2S)-4-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-3-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-4-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-3-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C23H30N5O2S+ MolecularWeight: 440.5816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C23H29N5O2S/c1-16(2)14-19(22(30)27-12-10-26(3)11-13-27)24-21(29)17-6-7-18-20(15-17)31-23(25-18)28-8-4-5-9-28/h4-9,15-16,19H,10-14H2,1-3H3,(H,24,29)/p+1/t19-/m0/s1