N-(4-bromanyl-2-chloranyl-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C18H20BrClN4S MolecularWeight: 439.8002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=NC=C3

InChI

InChI=1S/C18H20BrClN4S/c19-15-2-3-17(16(20)12-15)22-18(25)24-9-1-8-23(10-11-24)13-14-4-6-21-7-5-14/h2-7,12H,1,8-11,13H2,(H,22,25)