N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C29H22ClN5O5S MolecularWeight: 588.03348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=C5C=CC=C6Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=C5C=CC=C6Cl

InChI

InChI=1S/C29H22ClN5O5S/c30-23-6-2-3-19-20(23)4-1-5-21(19)28-32-24-15-17(7-10-26(24)40-28)31-29(41)33-27(36)22-16-18(35(37)38)8-9-25(22)34-11-13-39-14-12-34/h1-10,15-16H,11-14H2,(H2,31,33,36,41)