1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCCCC3

InChI

InChI=1S/C16H21N5O2S/c1-23-13-9-5-4-8-12(13)17-14(22)18-15-19-20-16(24-15)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,17,18,19,22)