1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methoxypyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methoxypyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methoxypyridine-3-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(6-methoxy-3-pyridinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methoxypyridine-3-carbonyl)amino]thiourea Traditional Name: 1-[(6-methoxynicotinoyl)amino]-3-piperonyl-thiourea Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N4O4S/c1-22-14-5-3-11(8-17-14)15(21)19-20-16(25)18-7-10-2-4-12-13(6-10)24-9-23-12/h2-6,8H,7,9H2,1H3,(H,19,21)(H2,18,20,25)