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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[[5-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]thiourea Openeye Name: 1-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[[[5-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]amino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[[5-(besylmethyl)-2-furoyl]amino]-3-(2,3-dimethylphenyl)thiourea Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S2/c1-14-7-6-10-18(15(14)2)22-21(29)24-23-20(25)19-12-11-16(28-19)13-30(26,27)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,29)