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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: 3-[(4-methoxyphenyl)thio]-N-(4-methyl-5-piperonyl-thiazol-2-yl)propionamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCSC2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCSC2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O4S2/c1-14-20(12-15-3-8-18-19(11-15)28-13-27-18)30-22(23-14)24-21(25)9-10-29-17-6-4-16(26-2)5-7-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,24,25)