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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pentoxy-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-pentoxy-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pentoxybenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C28H30N2O2S2 MolecularWeight: 490.68

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O2S2/c1-3-4-7-16-32-20-13-11-19(12-14-20)26(31)30-28-25(21-15-10-18(2)17-24(21)34-28)27-29-22-8-5-6-9-23(22)33-27/h5-6,8-9,11-14,18H,3-4,7,10,15-17H2,1-2H3,(H,30,31)