4-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1,4-diazepane-1-carbothioamide Openeye Name: 4-methyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]-1,4-diazepane-1-carbothioamide CAS Name: 4-methyl-N-[(Z)-1-(2-pyridinyl)ethylideneamino]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1,4-diazepane-1-carbothioamide Traditional Name: 4-methyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]-1,4-diazepane-1-carbothioamide Formula: C14H21N5S MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCN(CC1)C)C2=CC=CC=N2

Isomeric SMILES

C/C(=N/NC(=S)N1CCCN(CC1)C)/C2=CC=CC=N2

InChI

InChI=1S/C14H21N5S/c1-12(13-6-3-4-7-15-13)16-17-14(20)19-9-5-8-18(2)10-11-19/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)/b16-12-