1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea Traditional Name: 1-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-piperonyl-thiourea Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O4S2/c1-25(2)19-8-7-17(32(27,28)26-10-4-3-5-11-26)13-18(19)24-22(31)23-14-16-6-9-20-21(12-16)30-15-29-20/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,23,24,31)