1-(2-methyl-1-benzofuran-5-yl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(2-methyl-1-benzofuran-5-yl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(2-methylbenzofuran-5-yl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(2-methyl-5-benzofuranyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(2-methyl-1-benzofuran-5-yl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-methylbenzofuran-5-yl)thiourea Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=S)NC3CCCCN(C3=O)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=S)NC3CCCCN(C3=O)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O3S/c1-15-12-16-13-17(7-8-19(16)29-15)23-22(30)24-18-6-2-3-11-26(21(18)28)14-20(27)25-9-4-5-10-25/h7-8,12-13,18H,2-6,9-11,14H2,1H3,(H2,23,24,30)