methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC(C1=CC=CC=C1)C2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)CCCNC(=S)NC[C@H](C1=CC=CC=C1)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O2S/c1-27-21(26)12-7-13-23-22(28)25-14-18(16-8-3-2-4-9-16)19-15-24-20-11-6-5-10-17(19)20/h2-6,8-11,15,18,24H,7,12-14H2,1H3,(H2,23,25,28)/t18-/m1/s1