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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H23ClN4S2 MolecularWeight: 394.98502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H23ClN4S2/c1-14-21-16(13-25-14)12-22-7-4-8-23(10-9-22)18(24)20-11-15-5-2-3-6-17(15)19/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,24)