N-[4-[[4-(pyridin-3-ylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(pyridin-3-ylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-pyridylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-pyridinylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(pyridin-3-ylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-pyridylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-16(26)22-18-7-5-17(6-8-18)15-24-10-3-11-25(13-12-24)20(27)23-19-4-2-9-21-14-19/h2,4-9,14H,3,10-13,15H2,1H3,(H,22,26)(H,23,27)