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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-benzamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S2/c26-20(13-9-11-14(12-10-13)25(27)28)24-22-19(15-5-1-3-7-17(15)29-22)21-23-16-6-2-4-8-18(16)30-21/h2,4,6,8-12H,1,3,5,7H2,(H,24,26)