1-(1,3-benzodioxol-5-ylmethyl)-1-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-3-phenyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenylthiourea Traditional Name: 1-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-3-phenyl-1-piperonyl-thiourea Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S/c29-23-14-20(24(30)28(23)19-9-5-2-6-10-19)27(25(33)26-18-7-3-1-4-8-18)15-17-11-12-21-22(13-17)32-16-31-21/h1-13,20H,14-16H2,(H,26,33)