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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-chloranyl-4-methyl-phenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-chloro-4-methyl-phenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(2-chloro-4-methylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-chloro-4-methylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-chloro-4-methyl-phenyl)urea Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5OS/c1-11-6-7-13(12(17)10-11)18-14(23)19-15-20-21-16(24-15)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3,(H2,18,19,20,23)