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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC

InChI

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