3-bromanyl-4-butoxy-N-(4-methylpiperidin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-(4-methylpiperidin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-butoxy-N-(4-methylpiperidine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(4-methylpiperidine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(4-methylpiperidine-1-carbothioyl)benzamide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C)Br

InChI

InChI=1S/C18H25BrN2O2S/c1-3-4-11-23-16-6-5-14(12-15(16)19)17(22)20-18(24)21-9-7-13(2)8-10-21/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,22,24)