1-(1H-inden-5-yl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(1H-inden-5-yl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(1H-inden-5-yl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(1H-inden-5-yl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(1H-inden-5-yl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(1H-inden-5-yl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=S)NC2=CC3=C(CC=C3)C=C2)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=S)NC2=CC3=C(CC=C3)C=C2)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O2S/c27-20(25-11-3-4-12-25)15-26-13-2-1-8-19(21(26)28)24-22(29)23-18-10-9-16-6-5-7-17(16)14-18/h5,7,9-10,14,19H,1-4,6,8,11-13,15H2,(H2,23,24,29)