4-[(3-bicyclo[2.2.1]heptanylamino)methyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-[(3-bicyclo[2.2.1]heptanylamino)methyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-phenyl]methylsulfanyl]thiazol-2-yl]-4-[(norbornan-2-ylamino)methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4,5-dimethylphenyl]methylthio]-2-thiazolyl]-4-[(3-bicyclo[2.2.1]heptanylamino)methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(3-bicyclo[2.2.1]heptanylamino)methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-benzyl]thio]thiazol-2-yl]-4-[(2-norbornylamino)methyl]benzamide Formula: C34H41N5O3S2 MolecularWeight: 631.85104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC4CC5CCC4C5)C(=O)N6CCN(CC6)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC4CC5CCC4C5)C(=O)N6CCN(CC6)C(=O)C)C

InChI

InChI=1S/C34H41N5O3S2/c1-21-14-26(16-29(22(21)2)33(42)39-12-10-38(11-13-39)23(3)40)20-43-31-19-36-34(44-31)37-32(41)27-7-4-24(5-8-27)18-35-30-17-25-6-9-28(30)15-25/h4-5,7-8,14,16,19,25,28,30,35H,6,9-13,15,17-18,20H2,1-3H3,(H,36,37,41)