N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide Openeye Name: N-[1-(o-tolylmethyl)pyrazol-4-yl]azepane-1-carbothioamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-azepanecarbothioamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]azepane-1-carbothioamide Formula: C18H24N4S MolecularWeight: 328.47496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCCCCC3

InChI

InChI=1S/C18H24N4S/c1-15-8-4-5-9-16(15)13-22-14-17(12-19-22)20-18(23)21-10-6-2-3-7-11-21/h4-5,8-9,12,14H,2-3,6-7,10-11,13H2,1H3,(H,20,23)