N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-4-propoxy-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-4-propoxy-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-4-propoxy-benzamide CAS Name: N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-4-propoxybenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-4-propoxy-benzamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3O2S/c1-3-12-21-14-6-4-13(5-7-14)15(20)17-16(22)19-10-8-18(2)9-11-19/h4-7H,3,8-12H2,1-2H3,(H,17,20,22)/p+1