1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O4S2/c22-27(23,21-9-1-2-10-21)15-6-3-13(4-7-15)19-18(26)20-14-5-8-16-17(11-14)25-12-24-16/h3-8,11H,1-2,9-10,12H2,(H2,19,20,26)