N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H22BrClN4OS MolecularWeight: 457.81548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H22BrClN4OS/c1-12-15(13(2)25-22-12)11-23-6-3-7-24(9-8-23)18(26)21-17-5-4-14(19)10-16(17)20/h4-5,10H,3,6-9,11H2,1-2H3,(H,21,26)