3-acetamido-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-(4-methyl-5-piperonyl-thiazol-2-yl)-3-(2-thienyl)propionamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CC(C2=CC=CS2)NC(=O)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC(C2=CC=CS2)NC(=O)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S2/c1-12-19(9-14-5-6-16-17(8-14)28-11-27-16)30-21(22-12)24-20(26)10-15(23-13(2)25)18-4-3-7-29-18/h3-8,15H,9-11H2,1-2H3,(H,23,25)(H,22,24,26)