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

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-5-methyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-piperazin-1-yl-benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methyl-phenyl]methylsulfanyl]thiazol-2-yl]-4-piperazin-1-yl-benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-5-methylphenyl]methylthio]-2-thiazolyl]-4-(1-piperazinyl)benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methyl-benzyl]thio]thiazol-2-yl]-4-piperazino-benzamide Formula: C29H34N6O3S2 MolecularWeight: 578.74866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C29H34N6O3S2/c1-20-15-22(17-24(16-20)28(38)35-13-11-33(12-14-35)21(2)36)19-39-26-18-31-29(40-26)32-27(37)23-3-5-25(6-4-23)34-9-7-30-8-10-34/h3-6,15-18,30H,7-14,19H2,1-2H3,(H,31,32,37)