(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-piperonyl-propionamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O4S/c1-3-4-13-8-16(22)21-18(20-13)26-11(2)17(23)19-9-12-5-6-14-15(7-12)25-10-24-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,21,22)/t11-/m1/s1