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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(o-tolylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2-methylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(o-tolyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N4O2S2/c1-11-4-2-3-5-13(11)19-17(25)21-20-16(24)18-9-12-6-7-14-15(8-12)23-10-22-14/h2-8H,9-10H2,1H3,(H2,18,20,24)(H2,19,21,25)