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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylphenyl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylanilino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylanilino)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylanilino)thiourea Traditional Name: 1-(o-toluidino)-3-piperonyl-thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O2S/c1-11-4-2-3-5-13(11)18-19-16(22)17-9-12-6-7-14-15(8-12)21-10-20-14/h2-8,18H,9-10H2,1H3,(H2,17,19,22)