1-(1,3-benzodioxol-5-yl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(p-tolylsulfonylamino)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(tosylamino)phenyl]thiourea Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S2/c1-14-2-9-18(10-3-14)30(25,26)24-16-6-4-15(5-7-16)22-21(29)23-17-8-11-19-20(12-17)28-13-27-19/h2-12,24H,13H2,1H3,(H2,22,23,29)