6-nitro-1,1-bis(oxidanylidene)-N-[(2R)-1-phenylpropan-2-yl]-1,2-benzothiazol-3-amine

Systemtic Name: 6-nitro-1,1-bis(oxidanylidene)-N-[(2R)-1-phenylpropan-2-yl]-1,2-benzothiazol-3-amine Openeye Name: N-[(1R)-1-methyl-2-phenyl-ethyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: 6-nitro-1,1-dioxo-N-[(2R)-1-phenylpropan-2-yl]-1,2-benzothiazol-3-amine IUPAC Name: 6-nitro-1,1-dioxo-N-[(2R)-1-phenylpropan-2-yl]-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-[(1R)-1-methyl-2-phenyl-ethyl]amine Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-11(9-12-5-3-2-4-6-12)17-16-14-8-7-13(19(20)21)10-15(14)24(22,23)18-16/h2-8,10-11H,9H2,1H3,(H,17,18)/t11-/m1/s1