N-[4-(diethylamino)phenyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[4-(diethylamino)phenyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C23H33N5S MolecularWeight: 411.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C23H33N5S/c1-4-27(5-2)22-12-10-20(11-13-22)25-23(29)28-15-7-14-26(16-17-28)18-21-9-6-8-19(3)24-21/h6,8-13H,4-5,7,14-18H2,1-3H3,(H,25,29)