3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-3-(2-thienyl)propionamide Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)OC3(O2)CCCCC3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)OC3(O2)CCCCC3)C4=CC=CS4

InChI

InChI=1S/C21H24N2O4S/c1-14(24)22-16(19-6-5-11-28-19)13-20(25)23-15-7-8-17-18(12-15)27-21(26-17)9-3-2-4-10-21/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,22,24)(H,23,25)