1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-[[6-(1-azepanyl)-3-pyridinyl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C16H22N6OS/c1-12-20-21-16(24-12)19-15(23)18-11-13-6-7-14(17-10-13)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9,11H2,1H3,(H2,18,19,21,23)