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

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-morpholinoethyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-morpholinoethyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C17H28N4OS2 MolecularWeight: 368.56042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC3=CSC=C3

InChI

InChI=1S/C17H28N4OS2/c23-17(18-3-6-19-9-11-22-12-10-19)21-5-1-4-20(7-8-21)14-16-2-13-24-15-16/h2,13,15H,1,3-12,14H2,(H,18,23)