1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-1-oxidanylbutan-2-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-1-oxidanylbutan-2-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(hydroxymethyl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-1-hydroxybutan-2-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-1-hydroxybutan-2-yl]thiourea Traditional Name: 1-[(1S)-1-methylolpropyl]-3-piperonyl-thiourea Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[C@@H](CO)NC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N2O3S/c1-2-10(7-16)15-13(19)14-6-9-3-4-11-12(5-9)18-8-17-11/h3-5,10,16H,2,6-8H2,1H3,(H2,14,15,19)/t10-/m0/s1