5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)N(C4=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)N(C4=O)CC=C

InChI

InChI=1S/C21H19N3O4S/c1-4-7-23-20(26)16(19(25)22-21(23)29)9-14-8-12(2)24(13(14)3)15-5-6-17-18(10-15)28-11-27-17/h4-6,8-10H,1,7,11H2,2-3H3,(H,22,25,29)