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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenylthiazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-2-thiazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-phenylthiazol-2-yl)thio]-N-piperonyl-propionamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3S2/c1-13(27-20-22-16(11-26-20)15-5-3-2-4-6-15)19(23)21-10-14-7-8-17-18(9-14)25-12-24-17/h2-9,11,13H,10,12H2,1H3,(H,21,23)/t13-/m1/s1