N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C17H20ClFN4S2 MolecularWeight: 398.948903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN4S2/c1-12-20-14(11-25-12)10-22-5-2-6-23(8-7-22)17(24)21-13-3-4-16(19)15(18)9-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,21,24)