N-butyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-butyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Formula: C19H26ClN5OS MolecularWeight: 407.96064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClN5OS/c1-2-3-9-21-18(26)24-10-4-11-25(13-12-24)19-22-17(23-27-19)14-15-5-7-16(20)8-6-15/h5-8H,2-4,9-14H2,1H3,(H,21,26)