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

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-21(11-18-20-14-5-3-4-6-16(14)27-18)10-17(23)19-13-8-7-12(26-2)9-15(13)22(24)25/h3-9H,10-11H2,1-2H3,(H,19,23)