3,4-dimethyl-N-[2-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylindol-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylindol-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-[3-[2-oxo-2-(1-piperidyl)ethyl]sulfanylindol-1-yl]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-[3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-indolyl]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide Traditional Name: N-[2-[3-[(2-keto-2-piperidino-ethyl)thio]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCC4)C

InChI

InChI=1S/C26H31N3O2S/c1-19-10-11-21(16-20(19)2)26(31)27-12-15-29-17-24(22-8-4-5-9-23(22)29)32-18-25(30)28-13-6-3-7-14-28/h4-5,8-11,16-17H,3,6-7,12-15,18H2,1-2H3,(H,27,31)