1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-6-methylheptan-2-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-6-methylheptan-2-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1,5-dimethylhexyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-6-methylheptan-2-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-6-methylheptan-2-yl]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-piperonyl-thiourea Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-12(2)5-4-6-13(3)19-17(22)18-10-14-7-8-15-16(9-14)21-11-20-15/h7-9,12-13H,4-6,10-11H2,1-3H3,(H2,18,19,22)/t13-/m0/s1