2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethanoylamino]-4-methyl-pentanamide

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)acetyl]amino]-4-methyl-valeramide Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H24N4O4S/c1-10(2)7-12(16(18)23)21-15(22)9-19-17(26)20-11-3-4-13-14(8-11)25-6-5-24-13/h3-4,8,10,12H,5-7,9H2,1-2H3,(H2,18,23)(H,21,22)(H2,19,20,26)