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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC2=NN=C(S2)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC2=NN=C(S2)N3CCCCCC3)C

InChI

InChI=1S/C17H23N5OS/c1-12-8-7-9-14(13(12)2)18-15(23)19-16-20-21-17(24-16)22-10-5-3-4-6-11-22/h7-9H,3-6,10-11H2,1-2H3,(H2,18,19,20,23)