[(2S)-3-methyl-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl]ammonium Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C19H21N3OS/c1-11(2)17(20)18(23)21-14-7-5-13(6-8-14)19-22-15-9-4-12(3)10-16(15)24-19/h4-11,17H,20H2,1-3H3,(H,21,23)/p+1/t17-/m0/s1