N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-4-methyl-3-nitro-benzohydrazide

Systemtic Name: N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-4-methyl-3-nitro-benzohydrazide Openeye Name: N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-4-methyl-3-nitro-benzohydrazide CAS Name: N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]-4-methyl-3-nitrobenzohydrazide IUPAC Name: N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-4-methyl-3-nitrobenzohydrazide Traditional Name: N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-4-methyl-3-nitro-benzohydrazide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)C(C)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)[C@H](C)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c1-10-7-8-12(9-14(10)23(26)27)17(25)22-21-16(24)11(2)19-18-20-13-5-3-4-6-15(13)28-18/h3-9,11H,1-2H3,(H,19,20)(H,21,24)(H,22,25)/t11-/m0/s1