N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[3-[(3-fluorophenyl)methylthio]-1-indolyl]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[3-[(3-fluorobenzyl)thio]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C26H25FN2O3S MolecularWeight: 464.551703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)F)OC

InChI

InChI=1S/C26H25FN2O3S/c1-31-23-11-10-19(15-24(23)32-2)26(30)28-12-13-29-16-25(21-8-3-4-9-22(21)29)33-17-18-6-5-7-20(27)14-18/h3-11,14-16H,12-13,17H2,1-2H3,(H,28,30)