2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-thiomorpholin-4-yl-benzamide

Systemtic Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-thiomorpholin-4-yl-benzamide Openeye Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methyleneamino]-5-thiomorpholino-benzamide CAS Name: 2-[[[3-[(2-hydroxyethylthio)methyl]phenyl]-oxomethyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-thiomorpholin-4-ylbenzamide IUPAC Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-thiomorpholin-4-ylbenzamide Traditional Name: 2-[[3-[(2-hydroxyethylthio)methyl]benzoyl]amino]-N-[(E)-p-anisylideneamino]-5-thiomorpholino-benzamide Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)N3CCSCC3)NC(=O)C4=CC(=CC=C4)CSCCO

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=CC(=C2)N3CCSCC3)NC(=O)C4=CC(=CC=C4)CSCCO

InChI

InChI=1S/C29H32N4O4S2/c1-37-25-8-5-21(6-9-25)19-30-32-29(36)26-18-24(33-11-14-38-15-12-33)7-10-27(26)31-28(35)23-4-2-3-22(17-23)20-39-16-13-34/h2-10,17-19,34H,11-16,20H2,1H3,(H,31,35)(H,32,36)/b30-19+