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

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-piperazin-1-yl-benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-phenyl]methylsulfanyl]thiazol-2-yl]-4-piperazin-1-yl-benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4,5-dimethylphenyl]methylthio]-2-thiazolyl]-4-(1-piperazinyl)benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-benzyl]thio]thiazol-2-yl]-4-piperazino-benzamide Formula: C30H36N6O3S2 MolecularWeight: 592.77524

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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)N4CCNCC4)C(=O)N5CCN(CC5)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N4CCNCC4)C(=O)N5CCN(CC5)C(=O)C)C

InChI

InChI=1S/C30H36N6O3S2/c1-20-16-23(17-26(21(20)2)29(39)36-14-12-34(13-15-36)22(3)37)19-40-27-18-32-30(41-27)33-28(38)24-4-6-25(7-5-24)35-10-8-31-9-11-35/h4-7,16-18,31H,8-15,19H2,1-3H3,(H,32,33,38)