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

Systemtic Name: 1-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(3-phenylmethoxyphenyl)thiourea Openeye Name: 1-(3-benzyloxyphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(3-phenylmethoxyphenyl)thiourea IUPAC Name: 1-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-(3-phenylmethoxyphenyl)thiourea Traditional Name: 1-(3-benzoxyphenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H32N4O3S/c31-24(29-14-6-7-15-29)18-30-16-5-4-13-23(25(30)32)28-26(34)27-21-11-8-12-22(17-21)33-19-20-9-2-1-3-10-20/h1-3,8-12,17,23H,4-7,13-16,18-19H2,(H2,27,28,34)