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

Systemtic Name: 3,5-dimethyl-N-[2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylindol-1-yl]ethyl]benzamide Openeye Name: N-[2-[3-(2-anilino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[3-[(2-anilino-2-oxoethyl)thio]-1-indolyl]ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[3-[(2-anilino-2-keto-ethyl)thio]indol-1-yl]ethyl]-3,5-dimethyl-benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O2S/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/h3-11,14-17H,12-13,18H2,1-2H3,(H,28,32)(H,29,31)