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

Systemtic Name: 3-methoxy-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-naphthamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC

InChI

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