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

Systemtic Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[3-[(2,5-dimethylphenyl)methylthio]-1-indolyl]ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-[(2,5-dimethylbenzyl)thio]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C28H30N2OS/c1-19-9-10-21(3)24(15-19)18-32-27-17-30(26-8-6-5-7-25(26)27)14-13-29-28(31)23-12-11-20(2)22(4)16-23/h5-12,15-17H,13-14,18H2,1-4H3,(H,29,31)