1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(phenylsulfonyl)propanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(phenylsulfonyl)propanoylamino]thiourea Openeye Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-(3-besylpropanoylamino)-3-piperonyl-thiourea Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S2/c22-17(8-9-28(23,24)14-4-2-1-3-5-14)20-21-18(27)19-11-13-6-7-15-16(10-13)26-12-25-15/h1-7,10H,8-9,11-12H2,(H,20,22)(H2,19,21,27)