N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-12(20-18(24)13-6-5-7-14(10-13)23(26)27)19(25)22(2)11-17-21-15-8-3-4-9-16(15)28-17/h3-10,12H,11H2,1-2H3,(H,20,24)/t12-/m0/s1