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

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C24H26ClN3O3S2 MolecularWeight: 504.06454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C24H26ClN3O3S2/c1-2-3-4-5-8-15-31-17-13-11-16(12-14-17)22(29)26-24(32)28-27-23(30)21-20(25)18-9-6-7-10-19(18)33-21/h6-7,9-14H,2-5,8,15H2,1H3,(H,27,30)(H2,26,28,29,32)