ethyl 4-[[[(1R)-1-cyclopropylethyl]-(phenylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[[(1R)-1-cyclopropylethyl]-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[benzyl-[(1R)-1-cyclopropylethyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[[(1R)-1-cyclopropylethyl]-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-[(1R)-1-cyclopropylethyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[benzyl-[(1R)-1-cyclopropylethyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)C(C)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)[C@H](C)C3CC3

InChI

InChI=1S/C22H26N2O2S/c1-3-26-21(25)19-11-13-20(14-12-19)23-22(27)24(16(2)18-9-10-18)15-17-7-5-4-6-8-17/h4-8,11-14,16,18H,3,9-10,15H2,1-2H3,(H,23,27)/t16-/m1/s1