N-(3-methylsulfanylphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide CAS Name: N-[3-(methylthio)phenyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide Traditional Name: N-[3-(methylthio)phenyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide Formula: C29H28N2OS MolecularWeight: 452.61042

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C4=C(CCCCC4)C=C3C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C4=C(CCCCC4)C=C3C5=CC=CC=C5

InChI

InChI=1S/C29H28N2OS/c1-33-26-13-8-12-24(20-26)30-29(32)22-15-17-25(18-16-22)31-27-14-7-3-6-11-23(27)19-28(31)21-9-4-2-5-10-21/h2,4-5,8-10,12-13,15-20H,3,6-7,11,14H2,1H3,(H,30,32)