N-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C19H23ClN4S MolecularWeight: 374.93072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CN=CC=C3

InChI

InChI=1S/C19H23ClN4S/c20-18-7-2-1-6-17(18)14-22-19(25)24-10-4-9-23(11-12-24)15-16-5-3-8-21-13-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,22,25)