N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S2/c1-2-26-12-9-7-11(8-10-12)17(24)21-19(27)23-22-18(25)16-15(20)13-5-3-4-6-14(13)28-16/h3-10H,2H2,1H3,(H,22,25)(H2,21,23,24,27)