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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)NC2=NN=C(S2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)NC2=NN=C(S2)N3CCCCCC3

InChI

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