N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O3S/c1-33-24-16-15-21(27-29-22-9-5-6-10-25(22)34-27)17-23(24)30-28(35)31-26(32)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-17H,1H3,(H2,30,31,32,35)