4-heptoxy-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-heptoxy-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-heptoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 4-heptoxy-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-heptoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C

InChI

InChI=1S/C20H31N3O2S/c1-3-4-5-6-7-16-25-18-10-8-17(9-11-18)19(24)21-20(26)23-14-12-22(2)13-15-23/h8-11H,3-7,12-16H2,1-2H3,(H,21,24,26)