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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H22BrCl2N5S MolecularWeight: 491.27578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl)Cl)C

InChI

InChI=1S/C18H22BrCl2N5S/c1-12-14(17(21)24(2)23-12)11-25-6-3-7-26(9-8-25)18(27)22-16-5-4-13(19)10-15(16)20/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,27)