N-[4-[3,5-bis(chloranyl)pyridin-4-yl]piperazin-1-yl]carbothioyl-4-methyl-benzamide

Systemtic Name: N-[4-[3,5-bis(chloranyl)pyridin-4-yl]piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: N-[4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: N-[[4-(3,5-dichloro-4-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[4-(3,5-dichloropyridin-4-yl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: N-[4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C18H18Cl2N4OS MolecularWeight: 409.33272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C18H18Cl2N4OS/c1-12-2-4-13(5-3-12)17(25)22-18(26)24-8-6-23(7-9-24)16-14(19)10-21-11-15(16)20/h2-5,10-11H,6-9H2,1H3,(H,22,25,26)