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

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]thiazol-2-yl]-3-(3-pyridylmethyl)urea CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-2-thiazolyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]thiazol-2-yl]-3-(3-pyridylmethyl)urea Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H23N5O2S/c24-16(23-8-3-1-2-4-9-23)10-15-13-26-18(21-15)22-17(25)20-12-14-6-5-7-19-11-14/h5-7,11,13H,1-4,8-10,12H2,(H2,20,21,22,25)