(E)-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H18ClN3O3S2/c1-2-28-14-10-7-13(8-11-14)9-12-17(26)23-21(29)25-24-20(27)19-18(22)15-5-3-4-6-16(15)30-19/h3-12H,2H2,1H3,(H,24,27)(H2,23,25,26,29)/b12-9+