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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-isoamyl-thiourea Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H23N3O3S2/c1-11(2)5-6-17-16(23)19-18-15(20)10-24-12-3-4-13-14(9-12)22-8-7-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)(H2,17,19,23)