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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-3-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-3-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-3-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea Traditional Name: 1-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-3-methyl-1-piperonyl-thiourea Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S/c1-21-20(28)22(11-13-7-8-16-17(9-13)27-12-26-16)15-10-18(24)23(19(15)25)14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,28)