N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[3-[(4-bromophenyl)methylthio]-1-indolyl]ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[3-[(4-bromobenzyl)thio]indol-1-yl]ethyl]-3,5-dimethyl-benzamide Formula: C26H25BrN2OS MolecularWeight: 493.4585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H25BrN2OS/c1-18-13-19(2)15-21(14-18)26(30)28-11-12-29-16-25(23-5-3-4-6-24(23)29)31-17-20-7-9-22(27)10-8-20/h3-10,13-16H,11-12,17H2,1-2H3,(H,28,30)