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

Systemtic Name: 4-(dimethylamino)-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]methylsulfanyl]thiazol-2-yl]-4-(dimethylamino)benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-hydroxyphenyl]methylthio]-2-thiazolyl]-4-(dimethylamino)benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxyphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-benzyl]thio]thiazol-2-yl]-4-(dimethylamino)benzamide Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4S2/c1-17(32)30-10-12-31(13-11-30)25(35)21-14-18(4-9-22(21)33)16-36-23-15-27-26(37-23)28-24(34)19-5-7-20(8-6-19)29(2)3/h4-9,14-15,33H,10-13,16H2,1-3H3,(H,27,28,34)