ethyl 4-[[(2R)-5-methylhexan-2-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-5-methylhexan-2-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1R)-1,4-dimethylpentyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(2R)-5-methylhexan-2-yl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-5-methylhexan-2-yl]carbamothioylamino]benzoate Traditional Name: 4-[[(1R)-1,4-dimethylpentyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N[C@H](C)CCC(C)C

InChI

InChI=1S/C17H26N2O2S/c1-5-21-16(20)14-8-10-15(11-9-14)19-17(22)18-13(4)7-6-12(2)3/h8-13H,5-7H2,1-4H3,(H2,18,19,22)/t13-/m1/s1