[(2S)-1-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [(2S)-1-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [(1S)-2-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C14H18N5OS+ MolecularWeight: 304.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+](C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS/c1-9(19(2)7-3-6-15)13(20)18-14-17-11-5-4-10(16)8-12(11)21-14/h4-5,8-9H,3,7,16H2,1-2H3,(H,17,18,20)/p+1/t9-/m0/s1