5-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]valeramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-15(16-8-7-9-17(14-16)24(26)27)23(2)21(25)13-6-5-12-20-22-18-10-3-4-11-19(18)28-20/h3-4,7-11,14-15H,5-6,12-13H2,1-2H3/t15-/m1/s1