4-[2-(1-ethylindol-3-yl)sulfanylethanoyl]-1,4-diazepan-2-one

Systemtic Name: 4-[2-(1-ethylindol-3-yl)sulfanylethanoyl]-1,4-diazepan-2-one Openeye Name: 4-[2-(1-ethylindol-3-yl)sulfanylacetyl]-1,4-diazepan-2-one CAS Name: 4-[2-[(1-ethyl-3-indolyl)thio]-1-oxoethyl]-1,4-diazepan-2-one IUPAC Name: 4-[2-(1-ethylindol-3-yl)sulfanylacetyl]-1,4-diazepan-2-one Traditional Name: 4-[2-[(1-ethylindol-3-yl)thio]acetyl]-1,4-diazepan-2-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)SCC(=O)N3CCCNC(=O)C3

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)SCC(=O)N3CCCNC(=O)C3

InChI

InChI=1S/C17H21N3O2S/c1-2-19-10-15(13-6-3-4-7-14(13)19)23-12-17(22)20-9-5-8-18-16(21)11-20/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3,(H,18,21)