4-[(2,2-dimethylpropylamino)methyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-[(2,2-dimethylpropylamino)methyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-[(2,2-dimethylpropylamino)methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[(2,2-dimethylpropylamino)methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(2,2-dimethylpropylamino)methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[(neopentylamino)methyl]benzamide Formula: C30H37N5O3S2 MolecularWeight: 579.77648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNCC(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNCC(C)(C)C

InChI

InChI=1S/C30H37N5O3S2/c1-21(36)34-12-14-35(15-13-34)28(38)25-7-5-6-23(16-25)19-39-26-18-32-29(40-26)33-27(37)24-10-8-22(9-11-24)17-31-20-30(2,3)4/h5-11,16,18,31H,12-15,17,19-20H2,1-4H3,(H,32,33,37)