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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,5-dimethylfuran-3-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]thiourea Traditional Name: 1-[(2,5-dimethyl-3-furoyl)amino]-3-piperonyl-thiourea Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O4S/c1-9-5-12(10(2)23-9)15(20)18-19-16(24)17-7-11-3-4-13-14(6-11)22-8-21-13/h3-6H,7-8H2,1-2H3,(H,18,20)(H2,17,19,24)