1-(3,4-dimethylphenyl)-3-[[5-(phenoxymethyl)furan-2-yl]carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[5-(phenoxymethyl)furan-2-yl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[5-(phenoxymethyl)-2-furoyl]amino]thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3S/c1-14-8-9-16(12-15(14)2)22-21(28)24-23-20(25)19-11-10-18(27-19)13-26-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,28)