1-[3-(azepan-3-ylmethyl)pyridin-2-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

Systemtic Name: 1-[3-(azepan-3-ylmethyl)pyridin-2-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea Openeye Name: 1-[3-(azepan-3-ylmethyl)-2-pyridyl]-3-[2-(4-pyridyl)thiazol-4-yl]urea CAS Name: 1-[3-(3-azepanylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-4-thiazolyl)urea IUPAC Name: 1-[3-(azepan-3-ylmethyl)pyridin-2-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea Traditional Name: 1-[3-(azepan-3-ylmethyl)-2-pyridyl]-3-[2-(4-pyridyl)thiazol-4-yl]urea Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC(C1)CC2=C(N=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCNCC(C1)CC2=C(N=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H24N6OS/c28-21(26-18-14-29-20(25-18)16-6-10-22-11-7-16)27-19-17(5-3-9-24-19)12-15-4-1-2-8-23-13-15/h3,5-7,9-11,14-15,23H,1-2,4,8,12-13H2,(H2,24,26,27,28)