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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pentoxy-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-pentoxy-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pentoxybenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C27H28N2O2S2 MolecularWeight: 476.65342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N2O2S2/c1-2-3-8-17-31-19-15-13-18(14-16-19)25(30)29-27-24(20-9-4-6-11-22(20)32-27)26-28-21-10-5-7-12-23(21)33-26/h5,7,10,12-16H,2-4,6,8-9,11,17H2,1H3,(H,29,30)