1-[[3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-[[3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-[[3-[2-(1,3-benzodioxol-5-yl)thiazol-4-yl]cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide CAS Name: 1-[[3-[2-(1,3-benzodioxol-5-yl)-4-thiazolyl]cyclohexyl]methyl]-N-butyl-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-[[3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]cyclohexyl]methyl]-N-butyl-2-methylpyrrole-3-carboxamide Traditional Name: 1-[[3-[2-(1,3-benzodioxol-5-yl)thiazol-4-yl]cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C=C1)CC2CCCC(C2)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C=C1)CC2CCCC(C2)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H33N3O3S/c1-3-4-11-28-26(31)22-10-12-30(18(22)2)15-19-6-5-7-20(13-19)23-16-34-27(29-23)21-8-9-24-25(14-21)33-17-32-24/h8-10,12,14,16,19-20H,3-7,11,13,15,17H2,1-2H3,(H,28,31)