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

Systemtic Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[3-[(3,4-dichlorophenyl)methylthio]-1-indolyl]ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-[(3,4-dichlorobenzyl)thio]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C26H24Cl2N2OS MolecularWeight: 483.45256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24Cl2N2OS/c1-17-7-9-20(13-18(17)2)26(31)29-11-12-30-15-25(21-5-3-4-6-24(21)30)32-16-19-8-10-22(27)23(28)14-19/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31)