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

Systemtic Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[3-[(4-bromophenyl)methylthio]-1-indolyl]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[3-[(4-bromobenzyl)thio]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C26H25BrN2O3S MolecularWeight: 525.4573

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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=C(C=C4)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2O3S/c1-31-23-12-9-19(15-24(23)32-2)26(30)28-13-14-29-16-25(21-5-3-4-6-22(21)29)33-17-18-7-10-20(27)11-8-18/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30)