N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[cyclopropyl(p-anisyl)amino]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2SCC(=O)N)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2SCC(=O)N)C3CC3

InChI

InChI=1S/C21H25N3O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)13-21(26)23-18-4-2-3-5-19(18)28-14-20(22)25/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,22,25)(H,23,26)