5-chloranyl-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C26H18ClN3O3S MolecularWeight: 487.95742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C26H18ClN3O3S/c1-32-17-11-8-15(9-12-17)25-29-22-14-16(10-13-23(22)33-25)28-26(34)30-24(31)20-6-2-5-19-18(20)4-3-7-21(19)27/h2-14H,1H3,(H2,28,30,31,34)