4-(2-sulfanylidenehexadecoxy)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

Systemtic Name: 4-(2-sulfanylidenehexadecoxy)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione Openeye Name: 4-(2-thioxohexadecoxy)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione CAS Name: 4-(2-sulfanylidenehexadecoxy)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione IUPAC Name: 4-(2-sulfanylidenehexadecoxy)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione Traditional Name: 4-(2-thioxohexadecoxy)-3,3a,6,6a-tetrahydro-1H-imidaz[4,5-d]imidazole-2,5-quinone Formula: C20H36N4O3S MolecularWeight: 412.58984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)CON1C2C(NC(=O)N2)NC1=O

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)CON1C2C(NC(=O)N2)NC1=O

InChI

InChI=1S/C20H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(28)15-27-24-18-17(22-20(24)26)21-19(25)23-18/h17-18H,2-15H2,1H3,(H,22,26)(H2,21,23,25)