calcium N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(phenylmethyl)carbamodithioate

Systemtic Name: calcium N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(phenylmethyl)carbamodithioate Openeye Name: calcium N-benzyl-N-(3-methyl-1,1-dioxo-thiolan-3-yl)carbamodithioate CAS Name: calcium N-(3-methyl-1,1-dioxo-3-thiolanyl)-N-(phenylmethyl)carbamodithioate IUPAC Name: calcium N-benzyl-N-(3-methyl-1,1-dioxothiolan-3-yl)carbamodithioate Traditional Name: calcium N-benzyl-N-(1,1-diketo-3-methyl-thiolan-3-yl)carbamodithioate Formula: C26H32CaN2O4S6 MolecularWeight: 669.01128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)N(CC2=CC=CC=C2)C(=S)[S-].CC1(CCS(=O)(=O)C1)N(CC2=CC=CC=C2)C(=S)[S-].[Ca+2]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)N(CC2=CC=CC=C2)C(=S)[S-].CC1(CCS(=O)(=O)C1)N(CC2=CC=CC=C2)C(=S)[S-].[Ca+2]

InChI

InChI=1S/2C13H17NO2S3.Ca/c2*1-13(7-8-19(15,16)10-13)14(12(17)18)9-11-5-3-2-4-6-11;/h2*2-6H,7-10H2,1H3,(H,17,18);/q;;+2/p-2