1-(1,3-benzodioxol-5-yl)-3-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-phenyl-2-(phenylthio)acetyl]amino]thiourea Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S2/c26-21(20(15-7-3-1-4-8-15)30-17-9-5-2-6-10-17)24-25-22(29)23-16-11-12-18-19(13-16)28-14-27-18/h1-13,20H,14H2,(H,24,26)(H2,23,25,29)