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

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylamino)-N-methyl-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylamino)-N-methyl-3-nitro-benzamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylamino)-N-methyl-3-nitro-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-12(19-22-16-5-3-4-6-18(16)28-19)23(2)20(25)13-7-10-15(21-14-8-9-14)17(11-13)24(26)27/h3-7,10-12,14,21H,8-9H2,1-2H3/t12-/m1/s1