1-(3,4-dihydro-1,2-benzodioxin-4-yl)-3-(5-methyl-4-oxidanylidene-hexyl)thiourea

Systemtic Name: 1-(3,4-dihydro-1,2-benzodioxin-4-yl)-3-(5-methyl-4-oxidanylidene-hexyl)thiourea Openeye Name: 1-(3,4-dihydro-1,2-benzodioxin-4-yl)-3-(5-methyl-4-oxo-hexyl)thiourea CAS Name: 1-(3,4-dihydro-1,2-benzodioxin-4-yl)-3-(5-methyl-4-oxohexyl)thiourea IUPAC Name: 1-(3,4-dihydro-1,2-benzodioxin-4-yl)-3-(5-methyl-4-oxohexyl)thiourea Traditional Name: 1-(3,4-dihydro-1,2-benzodioxin-4-yl)-3-(4-keto-5-methyl-hexyl)thiourea Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCCNC(=S)NC1COOC2=CC=CC=C12

Isomeric SMILES

CC(C)C(=O)CCCNC(=S)NC1COOC2=CC=CC=C12

InChI

InChI=1S/C16H22N2O3S/c1-11(2)14(19)7-5-9-17-16(22)18-13-10-20-21-15-8-4-3-6-12(13)15/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H2,17,18,22)