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

Systemtic Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide Openeye Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide CAS Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide Traditional Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]propionamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(CC2=CSC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(CC2=CSC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C21H20N4O2S2/c1-27-16-8-6-15(7-9-16)24-21(28)25-18(20(26)23-11-10-22)12-14-13-29-19-5-3-2-4-17(14)19/h2-9,13,18H,11-12H2,1H3,(H,23,26)(H2,24,25,28)