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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-ethoxyphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-ethoxyphenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethoxyphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-ethoxyphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-o-phenetyl-urea Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCCCC3

InChI

InChI=1S/C17H23N5O2S/c1-2-24-14-10-6-5-9-13(14)18-15(23)19-16-20-21-17(25-16)22-11-7-3-4-8-12-22/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H2,18,19,20,23)