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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide Formula: C26H32ClN5S MolecularWeight: 482.08378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C26H32ClN5S/c1-20-24(25(27)30(2)29-20)19-31-14-9-15-32(17-16-31)26(33)28-18-23(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23H,9,14-19H2,1-2H3,(H,28,33)