1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-methylpyrazin-2-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-methylpyrazin-2-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-methylpyrazin-2-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-methyl-2-pyrazinyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-methylpyrazin-2-yl)methyl]thiourea Traditional Name: 1-[(5-methylpyrazin-2-yl)methyl]-3-piperonyl-thiourea Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H16N4O2S/c1-10-5-17-12(7-16-10)8-19-15(22)18-6-11-2-3-13-14(4-11)21-9-20-13/h2-5,7H,6,8-9H2,1H3,(H2,18,19,22)