N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)thiocarbamoylamino]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C21H21N5O2S/c1-28-16-8-6-15(7-9-16)25-21(29)26-19(20(27)23-11-10-22)12-14-13-24-18-5-3-2-4-17(14)18/h2-9,13,19,24H,11-12H2,1H3,(H,23,27)(H2,25,26,29)