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

Systemtic Name: N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-ethoxybenzamide Traditional Name: N-[2-[3-[[2-(cyclohexylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-ethoxy-benzamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C27H33N3O3S/c1-2-33-22-14-12-20(13-15-22)27(32)28-16-17-30-18-25(23-10-6-7-11-24(23)30)34-19-26(31)29-21-8-4-3-5-9-21/h6-7,10-15,18,21H,2-5,8-9,16-17,19H2,1H3,(H,28,32)(H,29,31)