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

Systemtic Name: N-(2-ethoxyphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-o-phenetyl-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C19H25N3OS2 MolecularWeight: 375.5513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H25N3OS2/c1-2-23-18-7-4-3-6-17(18)20-19(24)22-10-5-9-21(11-12-22)14-16-8-13-25-15-16/h3-4,6-8,13,15H,2,5,9-12,14H2,1H3,(H,20,24)