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

Systemtic Name: 5-chloranyl-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C29H25ClN4O2S MolecularWeight: 529.0524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25ClN4O2S/c1-3-34(4-2)20-14-11-18(12-15-20)28-32-25-17-19(13-16-26(25)36-28)31-29(37)33-27(35)23-9-5-8-22-21(23)7-6-10-24(22)30/h5-17H,3-4H2,1-2H3,(H2,31,33,35,37)