(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-nitrophenyl)propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4O3S/c1-12(18(23)20-13-7-3-5-9-15(13)22(24)25)21(2)11-17-19-14-8-4-6-10-16(14)26-17/h3-10,12H,11H2,1-2H3,(H,20,23)/t12-/m1/s1