1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(m-tolylmethylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-[(3-methylbenzyl)thio]acetyl]amino]thiourea Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NNC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NNC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21N3O3S2/c1-13-3-2-4-14(9-13)11-27-12-18(23)21-22-19(26)20-15-5-6-16-17(10-15)25-8-7-24-16/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,23)(H2,20,22,26)