1-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(3-pyridyl)thiourea CAS Name: 1-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-pyridin-3-ylthiourea Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(3-pyridyl)thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=S)NC2=CN=CC=C2)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=S)NC2=CN=CC=C2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H25N5O2S/c24-16(22-9-3-4-10-22)13-23-11-2-1-7-15(17(23)25)21-18(26)20-14-6-5-8-19-12-14/h5-6,8,12,15H,1-4,7,9-11,13H2,(H2,20,21,26)