1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-piperonyl-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c23-28(24,22-8-1-2-9-22)16-5-3-4-15(11-16)21-19(27)20-12-14-6-7-17-18(10-14)26-13-25-17/h3-7,10-11H,1-2,8-9,12-13H2,(H2,20,21,27)