N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[3-[[2-(cyclohexylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-3,5-dimethyl-benzamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S/c1-19-14-20(2)16-21(15-19)27(32)28-12-13-30-17-25(23-10-6-7-11-24(23)30)33-18-26(31)29-22-8-4-3-5-9-22/h6-7,10-11,14-17,22H,3-5,8-9,12-13,18H2,1-2H3,(H,28,32)(H,29,31)