N-[(2S)-1-(azepan-1-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-[(9-ethylcarbazol-3-yl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-[[(9-ethylcarbazol-3-yl)thio]methyl]-2-keto-ethyl]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N3CCCCCC3)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N3CCCCCC3)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C25H31N3O2S/c1-3-28-23-11-7-6-10-20(23)21-16-19(12-13-24(21)28)31-17-22(26-18(2)29)25(30)27-14-8-4-5-9-15-27/h6-7,10-13,16,22H,3-5,8-9,14-15,17H2,1-2H3,(H,26,29)/t22-/m1/s1