N-(4-methylpiperazin-1-yl)carbothioyl-3-propoxy-benzamide

Systemtic Name: N-(4-methylpiperazin-1-yl)carbothioyl-3-propoxy-benzamide Openeye Name: N-(4-methylpiperazine-1-carbothioyl)-3-propoxy-benzamide CAS Name: N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-(4-methylpiperazine-1-carbothioyl)-3-propoxybenzamide Traditional Name: N-(4-methylpiperazine-1-carbothioyl)-3-propoxy-benzamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C

InChI

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