N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-(hydroxymethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-(hydroxymethyl)-1H-pyrrole-2-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-phenyl]methylsulfanyl]thiazol-2-yl]-5-(hydroxymethyl)-1H-pyrrole-2-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4,5-dimethylphenyl]methylthio]-2-thiazolyl]-5-(hydroxymethyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-(hydroxymethyl)-1H-pyrrole-2-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-benzyl]thio]thiazol-2-yl]-5-methylol-1H-pyrrole-2-carboxamide Formula: C25H29N5O4S2 MolecularWeight: 527.65886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(N3)CO)C(=O)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(N3)CO)C(=O)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C25H29N5O4S2/c1-15-10-18(11-20(16(15)2)24(34)30-8-6-29(7-9-30)17(3)32)14-35-22-12-26-25(36-22)28-23(33)21-5-4-19(13-31)27-21/h4-5,10-12,27,31H,6-9,13-14H2,1-3H3,(H,26,28,33)