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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-(2-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=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CC=CC=N3

InChI

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