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

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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