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

Systemtic Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-3-methyl-4-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-12-9-13(7-8-15(12)23(26)27)19(25)20-10-18(24)22(2)11-17-21-14-5-3-4-6-16(14)28-17/h3-9H,10-11H2,1-2H3,(H,20,25)