1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

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