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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-piperidinosulfonylphenyl)thiourea Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O4S2/c23-28(24,22-10-2-1-3-11-22)16-7-4-14(5-8-16)20-19(27)21-15-6-9-17-18(12-15)26-13-25-17/h4-9,12H,1-3,10-11,13H2,(H2,20,21,27)