N-(oxolan-2-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(tetrahydrofuran-2-ylmethyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-oxolanylmethyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(tetrahydrofurfuryl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C16H25N3OS2/c21-16(17-11-15-3-1-9-20-15)19-6-2-5-18(7-8-19)12-14-4-10-22-13-14/h4,10,13,15H,1-3,5-9,11-12H2,(H,17,21)