1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(3,4-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]thiourea Traditional Name: 1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-3-piperonyl-thiourea Formula: C20H24N4O5S2 MolecularWeight: 464.55836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H24N4O5S2/c1-13-3-5-16(9-14(13)2)31(26,27)22-8-7-19(25)23-24-20(30)21-11-15-4-6-17-18(10-15)29-12-28-17/h3-6,9-10,22H,7-8,11-12H2,1-2H3,(H,23,25)(H2,21,24,30)