1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-morpholinosulfonylphenyl)-3-piperonyl-thiourea Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O5S2/c23-29(24,22-7-9-25-10-8-22)16-4-2-15(3-5-16)21-19(28)20-12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H2,20,21,28)