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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C24H16ClN3O3S MolecularWeight: 461.92014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C24H16ClN3O3S/c1-13-17-7-2-3-8-19(17)30-21(13)22(29)28-24(32)26-16-6-4-5-14(11-16)23-27-18-12-15(25)9-10-20(18)31-23/h2-12H,1H3,(H2,26,28,29,32)