1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N4O2S2/c1-11-4-3-5-12(2)16(11)20-18(26)22-21-17(25)19-9-13-6-7-14-15(8-13)24-10-23-14/h3-8H,9-10H2,1-2H3,(H2,19,21,25)(H2,20,22,26)