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

Systemtic Name: 1-(3-cyanophenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3-cyanophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3-cyanophenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3-cyanophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(3-cyanophenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2S/c21-13-15-6-5-7-16(12-15)22-20(28)23-17-8-1-2-11-25(19(17)27)14-18(26)24-9-3-4-10-24/h5-7,12,17H,1-4,8-11,14H2,(H2,22,23,28)