N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(2-pyrimidylthio)acetamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)CSC1=NC=CC=N1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC/C(=N/NC(=O)CSC1=NC=CC=N1)/C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H18N4O3S/c1-2-13(12-4-5-14-15(10-12)24-9-8-23-14)20-21-16(22)11-25-17-18-6-3-7-19-17/h3-7,10H,2,8-9,11H2,1H3,(H,21,22)/b20-13-