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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c23-17(19-10-13-21-11-6-1-2-7-12-21)16-14-20-18(24)22(16)15-8-4-3-5-9-15/h3-5,8-9,14H,1-2,6-7,10-13H2,(H,19,23)(H,20,24)