N-[(2S)-1-[(3R)-4-(3-methoxyphenyl)-3-methyl-5-oxidanylidene-piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-[(3R)-4-(3-methoxyphenyl)-3-methyl-5-oxidanylidene-piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3R)-4-(3-methoxyphenyl)-3-methyl-5-oxo-piperazine-1-carbonyl]-3-methylsulfanyl-propyl]acetamide CAS Name: N-[(2S)-1-[(3R)-4-(3-methoxyphenyl)-3-methyl-5-oxo-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[(3R)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-1-[(5R)-3-keto-4-(3-methoxyphenyl)-5-methyl-piperazine-1-carbonyl]-3-(methylthio)propyl]acetamide Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1C2=CC(=CC=C2)OC)C(=O)C(CCSC)NC(=O)C

Isomeric SMILES

C[C@@H]1CN(CC(=O)N1C2=CC(=CC=C2)OC)C(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C19H27N3O4S/c1-13-11-21(19(25)17(8-9-27-4)20-14(2)23)12-18(24)22(13)15-6-5-7-16(10-15)26-3/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,20,23)/t13-,17+/m1/s1