2-butyl-4-methyl-N-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-butyl-4-methyl-N-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-butyl-4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 2-butyl-4-methyl-N-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 2-butyl-4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-butyl-4-methyl-N-[4-(4-methylpiperazine-1-carbonyl)benzyl]thiazole-5-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)C

Isomeric SMILES

CCCCC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C22H30N4O2S/c1-4-5-6-19-24-16(2)20(29-19)21(27)23-15-17-7-9-18(10-8-17)22(28)26-13-11-25(3)12-14-26/h7-10H,4-6,11-15H2,1-3H3,(H,23,27)