2-(aminocarbonylamino)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide Traditional Name: 4-(methylthio)-N-piperonyl-2-ureido-butyramide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N

InChI

InChI=1S/C14H19N3O4S/c1-22-5-4-10(17-14(15)19)13(18)16-7-9-2-3-11-12(6-9)21-8-20-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,18)(H3,15,17,19)