2-[2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethanoylamino]-4-methyl-pentanamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamothioylamino)acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamothioylamino)acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylthiocarbamoylamino)acetyl]amino]-4-methyl-valeramide Formula: C16H22N4O4S MolecularWeight: 366.43528

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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)OCO2

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N4O4S/c1-9(2)5-11(15(17)22)20-14(21)7-18-16(25)19-10-3-4-12-13(6-10)24-8-23-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H2,17,22)(H,20,21)(H2,18,19,25)