N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxo-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-keto-ethyl]-3-methyl-4-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-12-10-14(8-9-16(12)24(27)28)19(26)21-11-18(25)23(3)13(2)20-22-15-6-4-5-7-17(15)29-20/h4-10,13H,11H2,1-3H3,(H,21,26)