N-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C21H14ClN3O3S2/c22-17-14-7-1-2-9-16(14)30-18(17)20(27)25-21(29)24-13-6-3-5-12(11-13)23-19(26)15-8-4-10-28-15/h1-11H,(H,23,26)(H2,24,25,27,29)