(E)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C21H25N3O3S2/c1-2-3-4-5-14-27-17-10-8-16(9-11-17)20(26)23-24-21(28)22-19(25)13-12-18-7-6-15-29-18/h6-13,15H,2-5,14H2,1H3,(H,23,26)(H2,22,24,25,28)/b13-12+