N-[(2-chlorophenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H23ClN4OS/c1-14-11-16(21-24-14)13-22-7-4-8-23(10-9-22)18(25)20-12-15-5-2-3-6-17(15)19/h2-3,5-6,11H,4,7-10,12-13H2,1H3,(H,20,25)