N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClN3O5S2/c1-27-12-8-10(9-13(28-2)16(12)29-3)18(25)22-20(30)24-23-19(26)17-15(21)11-6-4-5-7-14(11)31-17/h4-9H,1-3H3,(H,23,26)(H2,22,24,25,30)