diethyl-[2-[4-[[(Z)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]carbonyloxyethyl]azanium

Systemtic Name: diethyl-[2-[4-[[(Z)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]carbonyloxyethyl]azanium Openeye Name: diethyl-[2-[4-[[(Z)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[oxo-[4-[[[[(Z)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]methoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-[[(Z)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-[[(Z)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzoyl]oxyethyl]ammonium Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C\C2=CC=CS2

InChI

InChI=1S/C21H25N3O3S2/c1-3-24(4-2)13-14-27-20(26)16-7-9-17(10-8-16)22-21(28)23-19(25)12-11-18-6-5-15-29-18/h5-12,15H,3-4,13-14H2,1-2H3,(H2,22,23,25,28)/p+1/b12-11-