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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-(4-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=NC=C3

Isomeric SMILES

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

InChI

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