4-(2-hydroxyethyl)-N-[(4-methylphenyl)-phenylazanyl-methylidene]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-hydroxyethyl)-N-[(4-methylphenyl)-phenylazanyl-methylidene]piperazin-4-ium-1-carbothioamide Openeye Name: N-[anilino(p-tolyl)methylene]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[anilino-(4-methylphenyl)methylidene]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[anilino-(4-methylphenyl)methylidene]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[anilino(p-tolyl)methylene]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NC(=S)N2CC[NH+](CC2)CCO)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=NC(=S)N2CC[NH+](CC2)CCO)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-17-7-9-18(10-8-17)20(22-19-5-3-2-4-6-19)23-21(27)25-13-11-24(12-14-25)15-16-26/h2-10,26H,11-16H2,1H3,(H,22,23,27)/p+1