1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiourea Traditional Name: 1-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidino-phenyl]-3-piperonyl-thiourea Formula: C26H28N4O5S2 MolecularWeight: 540.65432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4)N5CCCC5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C26H28N4O5S2/c1-33-22-7-3-2-6-20(22)29-37(31,32)25-15-19(9-10-21(25)30-12-4-5-13-30)28-26(36)27-16-18-8-11-23-24(14-18)35-17-34-23/h2-3,6-11,14-15,29H,4-5,12-13,16-17H2,1H3,(H2,27,28,36)