N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=C(C)CCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C(/C)\CCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H22N4O3S/c1-12(4-5-15-6-7-16-17(9-15)26-11-25-16)22-23-18(24)10-27-19-20-13(2)8-14(3)21-19/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)/b22-12-