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

Systemtic Name: 1-[(E)-[2-(azepan-1-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(E)-[2-[1-azepanyl(oxo)methyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O2S/c1-16-20-18(25-26-23(30)24-17-10-5-4-6-11-17)12-9-13-19(20)29-21(16)22(28)27-14-7-2-3-8-15-27/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H2,24,26,30)/b25-18+