N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H14ClN3O3S/c1-11-4-7-14-17(9-11)27-19(22-14)12-5-6-13(21)15(10-12)23-20(28)24-18(25)16-3-2-8-26-16/h2-10H,1H3,(H2,23,24,25,28)