(2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propanamide CAS Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propionamide Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=CS1)[NH+]2CCOCC2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=CS1)[NH+]2CCOCC2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O2S2/c1-14(22-20-23-15-5-2-3-6-17(15)28-20)19(25)21-13-16(18-7-4-12-27-18)24-8-10-26-11-9-24/h2-7,12,14,16H,8-11,13H2,1H3,(H,21,25)(H,22,23)/p+1/t14-,16-/m0/s1