4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-[2-(4-morpholinyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide Formula: C18H31ClN6OS MolecularWeight: 414.99634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCCN3CCOCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCCN3CCOCC3)Cl)C

InChI

InChI=1S/C18H31ClN6OS/c1-15-16(17(19)22(2)21-15)14-24-5-3-6-25(9-8-24)18(27)20-4-7-23-10-12-26-13-11-23/h3-14H2,1-2H3,(H,20,27)