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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]thiourea CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]thiourea Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S2/c22-17(20-21-18(25)19-11-13-4-2-1-3-5-13)12-26-14-6-7-15-16(10-14)24-9-8-23-15/h1-7,10H,8-9,11-12H2,(H,20,22)(H2,19,21,25)