2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[1-[(4-bromophenyl)methyl]-3-indolyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[1-(4-bromobenzyl)indol-3-yl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C25H20BrN3OS2 MolecularWeight: 522.4798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H20BrN3OS2/c1-16-6-11-20-22(12-16)32-25(27-20)28-24(30)15-31-23-14-29(21-5-3-2-4-19(21)23)13-17-7-9-18(26)10-8-17/h2-12,14H,13,15H2,1H3,(H,27,28,30)