methyl 6-[[(S)-(4-methylphenyl)-phenyl-methyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(S)-(4-methylphenyl)-phenyl-methyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(S)-phenyl(p-tolyl)methyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(S)-(4-methylphenyl)-phenylmethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(S)-(4-methylphenyl)-phenylmethyl]carbamothioylamino]hexanoate Traditional Name: 6-[[(S)-phenyl(p-tolyl)methyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C22H28N2O2S/c1-17-12-14-19(15-13-17)21(18-9-5-3-6-10-18)24-22(27)23-16-8-4-7-11-20(25)26-2/h3,5-6,9-10,12-15,21H,4,7-8,11,16H2,1-2H3,(H2,23,24,27)/t21-/m0/s1