N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[3-[[2-(cyclohexylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-methyl-benzamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C26H31N3O2S/c1-19-11-13-20(14-12-19)26(31)27-15-16-29-17-24(22-9-5-6-10-23(22)29)32-18-25(30)28-21-7-3-2-4-8-21/h5-6,9-14,17,21H,2-4,7-8,15-16,18H2,1H3,(H,27,31)(H,28,30)