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

Systemtic Name: N-[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C24H32N5O2S+ MolecularWeight: 454.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C(C(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O2S/c1-4-28-13-7-8-18(28)15-25-23(31)21(16(2)3)27-22(30)17-9-10-19-20(14-17)32-24(26-19)29-11-5-6-12-29/h5-6,9-12,14,16,18,21H,4,7-8,13,15H2,1-3H3,(H,25,31)(H,27,30)/p+1/t18-,21-/m0/s1