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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-3-4-5-6-7-13(2)19-17(22)18-11-14-8-9-15-16(10-14)21-12-20-15/h8-10,13H,3-7,11-12H2,1-2H3,(H2,18,19,22)/t13-/m0/s1