N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carboxamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: N-[4-(isobutyrylamino)benzyl]-4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)C(=O)NCC3=CC=C(C=C3)NC(=O)C(C)C

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)C(=O)NCC3=CC=C(C=C3)NC(=O)C(C)C

InChI

InChI=1S/C21H29N5O2S/c1-15(2)20(27)24-18-6-4-17(5-7-18)12-22-21(28)26-10-8-25(9-11-26)13-19-14-29-16(3)23-19/h4-7,14-15H,8-13H2,1-3H3,(H,22,28)(H,24,27)