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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(1S)-1,5-dimethylhexyl]carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[[[(2S)-6-methylheptan-2-yl]amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-(piperonylthiocarbamoylamino)thiourea Formula: C18H28N4O2S2 MolecularWeight: 396.57052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S2/c1-12(2)5-4-6-13(3)20-18(26)22-21-17(25)19-10-14-7-8-15-16(9-14)24-11-23-15/h7-9,12-13H,4-6,10-11H2,1-3H3,(H2,19,21,25)(H2,20,22,26)/t13-/m0/s1