N-[3-methyl-1-oxidanylidene-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]propyl]thiophene-2-carboxamide Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H30N6O2S/c1-16(2)18(25-19(28)17-6-3-15-30-17)20(29)22-9-5-10-26-11-13-27(14-12-26)21-23-7-4-8-24-21/h3-4,6-8,15-16,18H,5,9-14H2,1-2H3,(H,22,29)(H,25,28)