N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-4-(3-thienylmethyl)piperazine-1-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-(3-thiophenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-(3-thenyl)piperazine-1-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H28N4O2S/c1-16(2)13-20(26)22-18-3-5-19(6-4-18)23-21(27)25-10-8-24(9-11-25)14-17-7-12-28-15-17/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,22,26)(H,23,27)