N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C25H21N5O6S MolecularWeight: 519.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=O)C(=C4NC5=CC=CC=C5O4)C=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=O)/C(=C/4\NC5=CC=CC=C5O4)/C=C3

InChI

InChI=1S/C25H21N5O6S/c31-21-13-15(5-7-17(21)24-27-19-3-1-2-4-22(19)36-24)26-25(37)28-23(32)18-14-16(30(33)34)6-8-20(18)29-9-11-35-12-10-29/h1-8,13-14,27H,9-12H2,(H2,26,28,32,37)/b24-17+