methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[(5-chloro-2-pyridyl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(5-chloropyridin-2-yl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(5-chloro-2-pyridyl)thiocarbamoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)NC3=NC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-25-17(24)15(8-11-9-20-14-5-3-2-4-13(11)14)22-18(26)23-16-7-6-12(19)10-21-16/h2-7,9-10,15,20H,8H2,1H3,(H2,21,22,23,26)