N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]cyclohexanecarboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]cyclohexanecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]cyclohexanecarboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]cyclohexanecarboxamide Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4CCCCC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4CCCCC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H26N2O3S2/c1-16-23(14-17-11-12-20-21(13-17)32-15-31-20)34-27(29-25(30)18-7-3-2-4-8-18)24(16)26-28-19-9-5-6-10-22(19)33-26/h5-6,9-13,18H,2-4,7-8,14-15H2,1H3,(H,29,30)