3-methoxy-N-[2-[2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-methoxy-N-[2-[2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-methoxy-N-[2-[2-[(4-morpholinosulfonylphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]benzamide CAS Name: 3-methoxy-N-[2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]hydrazo]-2-oxoethyl]benzamide IUPAC Name: 3-methoxy-N-[2-[2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[N'-[(4-morpholinosulfonylphenyl)thiocarbamoyl]hydrazino]ethyl]-3-methoxy-benzamide Formula: C21H25N5O6S2 MolecularWeight: 507.5831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25N5O6S2/c1-31-17-4-2-3-15(13-17)20(28)22-14-19(27)24-25-21(33)23-16-5-7-18(8-6-16)34(29,30)26-9-11-32-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,22,28)(H,24,27)(H2,23,25,33)