methyl 2-[[furan-2-ylmethyl-[(1R)-1-phenylethyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[furan-2-ylmethyl-[(1R)-1-phenylethyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-furylmethyl-[(1R)-1-phenylethyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-furanylmethyl-[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[furan-2-ylmethyl-[(1R)-1-phenylethyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-furfuryl-[(1R)-1-phenylethyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CO2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(CC2=CC=CO2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-16(17-9-4-3-5-10-17)24(15-18-11-8-14-27-18)22(28)23-20-13-7-6-12-19(20)21(25)26-2/h3-14,16H,15H2,1-2H3,(H,23,28)/t16-/m1/s1