N-[4-(diethylamino)phenyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[4-(diethylamino)phenyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C22H31N5S MolecularWeight: 397.58004

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5S/c1-3-26(4-2)21-11-9-19(10-12-21)24-22(28)27-15-7-14-25(16-17-27)18-20-8-5-6-13-23-20/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,24,28)