N-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carbothioamide Openeye Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carbothioamide CAS Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinecarbothioamide IUPAC Name: N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)-2-methylpiperazine-1-carbothioamide Traditional Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carbothioamide Formula: C21H27ClN4S MolecularWeight: 402.98388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C21H27ClN4S/c1-15-14-25(19-18(22)6-5-11-23-19)12-13-26(15)20(27)24-17-9-7-16(8-10-17)21(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,24,27)