4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-N-(2-oxolanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C16H26N4OS2 MolecularWeight: 354.53384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C16H26N4OS2/c1-13-18-14(12-23-13)11-19-5-3-6-20(8-7-19)16(22)17-10-15-4-2-9-21-15/h12,15H,2-11H2,1H3,(H,17,22)