N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-4-nitro-benzamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H17ClN4O3S/c23-15-11-12(27(29)30)9-10-13(15)21(28)26-22-19(14-5-1-4-8-18(14)31-22)20-24-16-6-2-3-7-17(16)25-20/h2-3,6-7,9-11H,1,4-5,8H2,(H,24,25)(H,26,28)