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

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C26H22ClN5O5S MolecularWeight: 552.00138

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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)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H22ClN5O5S/c27-17-3-1-16(2-4-17)13-24-29-21-14-18(5-8-23(21)37-24)28-26(38)30-25(33)20-15-19(32(34)35)6-7-22(20)31-9-11-36-12-10-31/h1-8,14-15H,9-13H2,(H2,28,30,33,38)