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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenethyl-pyrrolidin-3-yl)-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenethyl-3-pyrrolidinyl)-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenethylpyrrolidin-3-yl)-3-phenylthiourea Traditional Name: 1-(2,5-diketo-1-phenethyl-pyrrolidin-3-yl)-3-phenyl-1-piperonyl-thiourea Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-25-16-22(26(32)29(25)14-13-19-7-3-1-4-8-19)30(27(35)28-21-9-5-2-6-10-21)17-20-11-12-23-24(15-20)34-18-33-23/h1-12,15,22H,13-14,16-18H2,(H,28,35)