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

Systemtic Name: 3-acetamido-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: 3-acetamido-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(4-methoxyphenyl)propanamide CAS Name: 3-acetamido-N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: 3-acetamido-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: 3-acetamido-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(4-methoxyphenyl)propionamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N3O5S/c1-13(26)23-17(14-3-6-16(28-2)7-4-14)10-21(27)25-22-24-18(11-31-22)15-5-8-19-20(9-15)30-12-29-19/h3-9,11,17H,10,12H2,1-2H3,(H,23,26)(H,24,25,27)