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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pentoxy-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-pentoxy-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pentoxybenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[3-(1,3-benzothiazol-2-yl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C31H36N2O2S2 MolecularWeight: 532.75974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C31H36N2O2S2/c1-5-6-9-17-35-22-12-10-11-20(18-22)28(34)33-30-27(29-32-24-13-7-8-14-25(24)36-29)23-16-15-21(31(2,3)4)19-26(23)37-30/h7-8,10-14,18,21H,5-6,9,15-17,19H2,1-4H3,(H,33,34)