3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4O3S/c1-13-7-8-14(23(25)26)11-16(13)20-18(24)9-10-22(2)12-19-21-15-5-3-4-6-17(15)27-19/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)