ethyl 4-[[[(2R)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[[(2R)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(4-isopropylphenyl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[[(2R)-2-oxolanyl]methyl-[(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[(2R)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[(4-isopropylbenzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C[C@H]2CCCO2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H32N2O3S/c1-4-29-24(28)21-11-13-22(14-12-21)26-25(31)27(17-23-6-5-15-30-23)16-19-7-9-20(10-8-19)18(2)3/h7-14,18,23H,4-6,15-17H2,1-3H3,(H,26,31)/t23-/m1/s1