methyl 4-[[[1-(furan-2-yl)-3-methyl-but-3-enyl]-(4-methoxyphenyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[[1-(furan-2-yl)-3-methyl-but-3-enyl]-(4-methoxyphenyl)carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[[1-(2-furyl)-3-methyl-but-3-enyl]-(4-methoxyphenyl)carbamothioyl]amino]benzoate CAS Name: 4-[[(N-[1-(2-furanyl)-3-methylbut-3-enyl]-4-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(furan-2-yl)-3-methylbut-3-enyl]-(4-methoxyphenyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[[1-(2-furyl)-3-methyl-but-3-enyl]-(4-methoxyphenyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C1=CC=CO1)N(C2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=C)CC(C1=CC=CO1)N(C2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H26N2O4S/c1-17(2)16-22(23-6-5-15-31-23)27(20-11-13-21(29-3)14-12-20)25(32)26-19-9-7-18(8-10-19)24(28)30-4/h5-15,22H,1,16H2,2-4H3,(H,26,32)