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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C20H28ClN5OS MolecularWeight: 421.98722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C20H28ClN5OS/c1-4-27-18-9-6-5-8-17(18)22-20(28)26-11-7-10-25(12-13-26)14-16-15(2)23-24(3)19(16)21/h5-6,8-9H,4,7,10-14H2,1-3H3,(H,22,28)