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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-heptan-2-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-methylhexyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-heptan-2-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-heptan-2-yl]thiourea Traditional Name: 1-[(1S)-1-methylhexyl]-3-piperonyl-thiourea Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-3-4-5-6-12(2)18-16(21)17-10-13-7-8-14-15(9-13)20-11-19-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,17,18,21)/t12-/m0/s1