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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-5-nitro-benzamide Formula: C22H16ClN3O3S2 MolecularWeight: 469.96374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16ClN3O3S2/c23-15-10-9-12(26(28)29)11-14(15)20(27)25-22-19(13-5-1-3-7-17(13)30-22)21-24-16-6-2-4-8-18(16)31-21/h2,4,6,8-11H,1,3,5,7H2,(H,25,27)