N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]-4-chloro-3-nitro-benzamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O4S/c1-9(15(23)21-17-20-12-4-2-3-5-14(12)27-17)19-16(24)10-6-7-11(18)13(8-10)22(25)26/h2-9H,1H3,(H,19,24)(H,20,21,23)/t9-/m0/s1