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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[5-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]thiourea Openeye Name: 1-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[[5-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[5-(besylmethyl)-2-furoyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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