N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-2-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-2-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-2-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thiophenyl]-2-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-2-nitro-benzamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C20H15N3O3S2/c1-11-12(2)27-20(17(11)19-21-14-8-4-6-10-16(14)28-19)22-18(24)13-7-3-5-9-15(13)23(25)26/h3-10H,1-2H3,(H,22,24)