5-(3,4-dimethylphenyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-2-furamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21N3O3S/c1-16-8-9-19(14-17(16)2)22-12-13-24(32-22)25(31)30-27(34)28-20-10-11-23-21(15-20)29-26(33-23)18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,28,30,31,34)