N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C19H24N4O2S MolecularWeight: 372.48446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c24-17-10-5-2-6-12-22(17)13-7-11-20-18(25)16-14-21-19(26)23(16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,20,25)(H,21,26)