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

Systemtic Name: N-[3-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-keto-propyl]-4-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-13(20-22-16-5-3-4-6-17(16)29-20)23(2)18(25)11-12-21-19(26)14-7-9-15(10-8-14)24(27)28/h3-10,13H,11-12H2,1-2H3,(H,21,26)/t13-/m1/s1