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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[(4-dimethylaminophenyl)methyl-ethyl-amino]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[(4-dimethylaminophenyl)methyl-ethyl-amino]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[(4-dimethylaminophenyl)methyl-ethylamino]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(4-dimethylaminophenyl)methyl-ethylamino]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[[4-(dimethylamino)benzyl]-ethyl-amino]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C21H28N4O2S/c1-4-25(13-16-9-11-17(12-10-16)24(2)3)14-21(27)23-18-7-5-6-8-19(18)28-15-20(22)26/h5-12H,4,13-15H2,1-3H3,(H2,22,26)(H,23,27)