N-[3-[[5-(3-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[[5-(3-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[[5-(3-chlorophenyl)-2-furoyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C27H18ClN3O4S MolecularWeight: 515.96752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H18ClN3O4S/c28-18-7-3-6-16(13-18)22-11-12-23(34-22)25(32)31-27(36)30-20-9-4-8-19(15-20)29-26(33)24-14-17-5-1-2-10-21(17)35-24/h1-15H,(H,29,33)(H2,30,31,32,36)