3-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C2=CC=CC=C2OC1=S)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C2=CC=CC=C2OC1=S)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H22N2O3S2/c1-2-3-9-17(13-8-10-23(19,20)11-13)12-18-14-6-4-5-7-15(14)21-16(18)22/h4-7,13H,2-3,8-12H2,1H3/t13-/m0/s1