1-[(E)-[2-(azepan-1-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea

Systemtic Name: 1-[(E)-[2-(azepan-1-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Openeye Name: [(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea CAS Name: [(E)-[2-[1-azepanyl(oxo)methyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea IUPAC Name: [(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Traditional Name: [(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea Formula: C17H24N4O2S MolecularWeight: 348.46306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H24N4O2S/c1-11-14-12(19-20-17(18)24)7-6-8-13(14)23-15(11)16(22)21-9-4-2-3-5-10-21/h2-10H2,1H3,(H3,18,20,24)/b19-12+