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

Systemtic Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxy-benzamide CAS Name: N-[2-[3-[(3,4-dichlorophenyl)methylthio]-1-indolyl]ethyl]-4-methoxybenzamide IUPAC Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxybenzamide Traditional Name: N-[2-[3-[(3,4-dichlorobenzyl)thio]indol-1-yl]ethyl]-4-methoxy-benzamide Formula: C25H22Cl2N2O2S MolecularWeight: 485.42538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22Cl2N2O2S/c1-31-19-9-7-18(8-10-19)25(30)28-12-13-29-15-24(20-4-2-3-5-23(20)29)32-16-17-6-11-21(26)22(27)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,28,30)