ethyl 4-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H25N3O2S/c1-2-31-25(30)19-12-14-20(15-13-19)29-26(32)28-16-22(18-8-4-3-5-9-18)23-17-27-24-11-7-6-10-21(23)24/h3-15,17,22,27H,2,16H2,1H3,(H2,28,29,32)