1-butan-2-yl-3-[2-[6-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea

Systemtic Name: 1-butan-2-yl-3-[2-[6-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea Openeye Name: 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-sec-butyl-thiourea CAS Name: 1-butan-2-yl-3-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea IUPAC Name: 1-butan-2-yl-3-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea Traditional Name: 1-[2-[7-methoxy-6-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-3-sec-butyl-thiourea Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NCCC1=CC2=C(C(=C1C=C3C(=O)N(C(=O)N(C3=O)C)C)OC)OCO2

Isomeric SMILES

CCC(C)NC(=S)NCCC1=CC2=C(C(=C1C=C3C(=O)N(C(=O)N(C3=O)C)C)OC)OCO2

InChI

InChI=1S/C22H28N4O6S/c1-6-12(2)24-21(33)23-8-7-13-9-16-18(32-11-31-16)17(30-5)14(13)10-15-19(27)25(3)22(29)26(4)20(15)28/h9-10,12H,6-8,11H2,1-5H3,(H2,23,24,33)