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

Systemtic Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxy-benzamide CAS Name: N-[2-[3-[(2,5-dimethylphenyl)methylthio]-1-indolyl]ethyl]-4-methoxybenzamide IUPAC Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxybenzamide Traditional Name: N-[2-[3-[(2,5-dimethylbenzyl)thio]indol-1-yl]ethyl]-4-methoxy-benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-19-8-9-20(2)22(16-19)18-32-26-17-29(25-7-5-4-6-24(25)26)15-14-28-27(30)21-10-12-23(31-3)13-11-21/h4-13,16-17H,14-15,18H2,1-3H3,(H,28,30)