1-[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3-(pyridin-4-ylmethyl)urea

Systemtic Name: 1-[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3-(pyridin-4-ylmethyl)urea Openeye Name: 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]thiazol-2-yl]-3-(4-pyridylmethyl)urea CAS Name: 1-[4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-thiazolyl]-3-(pyridin-4-ylmethyl)urea IUPAC Name: 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(pyridin-4-ylmethyl)urea Traditional Name: 1-[4-[2-(4-acetylpiperazino)-2-keto-ethyl]thiazol-2-yl]-3-(4-pyridylmethyl)urea Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C18H22N6O3S/c1-13(25)23-6-8-24(9-7-23)16(26)10-15-12-28-18(21-15)22-17(27)20-11-14-2-4-19-5-3-14/h2-5,12H,6-11H2,1H3,(H2,20,21,22,27)