N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-nitro-phenoxy)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-nitro-phenoxy)ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-nitro-phenoxy)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-nitrophenoxy)acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-nitrophenoxy)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-nitro-phenoxy)acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-12-9-13(7-8-15(12)21(23)24)25-11-18(22)20(2)10-17-19-14-5-3-4-6-16(14)26-17/h3-9H,10-11H2,1-2H3