1-[5-(azepan-1-ylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea

Systemtic Name: 1-[5-(azepan-1-ylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea Openeye Name: 1-[5-(azepane-1-carbonyl)-4-methyl-thiazol-2-yl]-3-(3-chlorophenyl)urea CAS Name: 1-[5-[1-azepanyl(oxo)methyl]-4-methyl-2-thiazolyl]-3-(3-chlorophenyl)urea IUPAC Name: 1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea Traditional Name: 1-[5-(azepane-1-carbonyl)-4-methyl-thiazol-2-yl]-3-(3-chlorophenyl)urea Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NC2=CC(=CC=C2)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NC2=CC(=CC=C2)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H21ClN4O2S/c1-12-15(16(24)23-9-4-2-3-5-10-23)26-18(20-12)22-17(25)21-14-8-6-7-13(19)11-14/h6-8,11H,2-5,9-10H2,1H3,(H2,20,21,22,25)