1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]thiourea Traditional Name: 1-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-3-piperonyl-thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-10-5-11(2)20-16(21)13(10)8-19-17(24)18-7-12-3-4-14-15(6-12)23-9-22-14/h3-6H,7-9H2,1-2H3,(H,20,21)(H2,18,19,24)