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

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-10(18-16(23)11-5-4-6-12(9-11)21(24)25)15(22)20-17-19-13-7-2-3-8-14(13)26-17/h2-10H,1H3,(H,18,23)(H,19,20,22)/t10-/m0/s1