4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzamide

Systemtic Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzamide Openeye Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzamide CAS Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrobenzamide IUPAC Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrobenzamide Traditional Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-10(17-19-12-5-3-4-6-15(12)25-17)20(2)13-8-7-11(16(18)22)9-14(13)21(23)24/h3-10H,1-2H3,(H2,18,22)/t10-/m1/s1