N-(3-chloranyl-4-fluoranyl-phenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C17H19ClFN3S2 MolecularWeight: 383.934263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CSC=C3

InChI

InChI=1S/C17H19ClFN3S2/c18-15-10-14(2-3-16(15)19)20-17(23)22-6-1-5-21(7-8-22)11-13-4-9-24-12-13/h2-4,9-10,12H,1,5-8,11H2,(H,20,23)