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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(p-tolylthio)propionamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O3S2/c1-13-2-5-15(6-3-13)26-9-8-19(23)22-20-21-16(11-27-20)14-4-7-17-18(10-14)25-12-24-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,22,23)