N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-piperonyl-benzamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCCC5

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C27H30N4O3S/c1-18(2)22-14-25(31-10-3-4-11-31)30-27(29-22)35-16-20-6-5-7-21(12-20)26(32)28-15-19-8-9-23-24(13-19)34-17-33-23/h5-9,12-14,18H,3-4,10-11,15-17H2,1-2H3,(H,28,32)