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

Systemtic Name: 1-[2-(azepan-1-ylcarbonyl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-(azepane-1-carbonyl)phenyl]thiourea CAS Name: 1-[2-[1-azepanyl(oxo)methyl]phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[2-(azepane-1-carbonyl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-(azepane-1-carbonyl)phenyl]thiourea Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-2-11-18-17(22)19-15-10-6-5-9-14(15)16(21)20-12-7-3-4-8-13-20/h2,5-6,9-10H,1,3-4,7-8,11-13H2,(H2,18,19,22)