2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-12-8-15(23(25)26)16(27-3)9-14(12)20-18(24)10-22(2)11-19-21-13-6-4-5-7-17(13)28-19/h4-9H,10-11H2,1-3H3,(H,20,24)