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

Systemtic Name: N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-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[NH+]1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C23H29N5O2S/c1-4-26-11-13-27(14-12-26)22(30)20(16(2)3)25-21(29)17-7-8-18-19(15-17)31-23(24-18)28-9-5-6-10-28/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,25,29)/p+1/t20-/m0/s1