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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylphenyl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylbenzoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2-methylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylbenzoyl)amino]thiourea Traditional Name: 1-(o-toluoylamino)-3-piperonyl-thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O3S/c1-11-4-2-3-5-13(11)16(21)19-20-17(24)18-9-12-6-7-14-15(8-12)23-10-22-14/h2-8H,9-10H2,1H3,(H,19,21)(H2,18,20,24)