1-[2-(azepan-1-ylcarbonyl)phenyl]-3-ethyl-thiourea

Systemtic Name: 1-[2-(azepan-1-ylcarbonyl)phenyl]-3-ethyl-thiourea Openeye Name: 1-[2-(azepane-1-carbonyl)phenyl]-3-ethyl-thiourea CAS Name: 1-[2-[1-azepanyl(oxo)methyl]phenyl]-3-ethylthiourea IUPAC Name: 1-[2-(azepane-1-carbonyl)phenyl]-3-ethylthiourea Traditional Name: 1-[2-(azepane-1-carbonyl)phenyl]-3-ethyl-thiourea Formula: C16H23N3OS MolecularWeight: 305.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C16H23N3OS/c1-2-17-16(21)18-14-10-6-5-9-13(14)15(20)19-11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H2,17,18,21)