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

Systemtic Name: N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C(C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-10-5-3-8-14-15(10)20-18(27-14)21-16(23)11(2)19-17(24)12-6-4-7-13(9-12)22(25)26/h3-9,11H,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1