N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butyl]-4-methoxy-benzamide

Systemtic Name: N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butyl]-4-methoxy-benzamide Openeye Name: N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxo-butyl]-4-methoxy-benzamide CAS Name: N-[4-[2-[(2-cyanophenyl)methylthio]ethylamino]-4-oxobutyl]-4-methoxybenzamide IUPAC Name: N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxobutyl]-4-methoxybenzamide Traditional Name: N-[4-[2-[(2-cyanobenzyl)thio]ethylamino]-4-keto-butyl]-4-methoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C22H25N3O3S/c1-28-20-10-8-17(9-11-20)22(27)25-12-4-7-21(26)24-13-14-29-16-19-6-3-2-5-18(19)15-23/h2-3,5-6,8-11H,4,7,12-14,16H2,1H3,(H,24,26)(H,25,27)