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

Systemtic Name: methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC(C1=CC=CS1)C2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)CCCNC(=S)NC[C@H](C1=CC=CS1)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H23N3O2S2/c1-25-19(24)9-4-10-21-20(26)23-13-16(18-8-5-11-27-18)15-12-22-17-7-3-2-6-14(15)17/h2-3,5-8,11-12,16,22H,4,9-10,13H2,1H3,(H2,21,23,26)/t16-/m0/s1