(2S)-N-(6-azanyl-1,3-benzothiazol-2-yl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(6-azanyl-1,3-benzothiazol-2-yl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H19N4OS2+ MolecularWeight: 323.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+]3CCSCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+]3CCSCC3

InChI

InChI=1S/C14H18N4OS2/c1-9(18-4-6-20-7-5-18)13(19)17-14-16-11-3-2-10(15)8-12(11)21-14/h2-3,8-9H,4-7,15H2,1H3,(H,16,17,19)/p+1/t9-/m0/s1