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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C4=NC5=CC=CC=C5S4

InChI

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