1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-1-methyl-thiourea CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-1-methylthiourea Traditional Name: 3-benzyl-1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-1-methyl-thiourea Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

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