1-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyrrolidin-1-ylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyrrolidin-1-ylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyrrolidin-1-ylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-piperonyl-3-(2-pyrrolidinophenyl)thiourea Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O2S/c25-19(20-12-14-7-8-17-18(11-14)24-13-23-17)21-15-5-1-2-6-16(15)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12-13H2,(H2,20,21,25)